15511175
  -OEChem-04232403102D

 42 44  0     1  0  0  0  0  0999 V2000
    9.9864    0.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2208   -0.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219    0.0452    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1707    0.2105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3917   -0.6551    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9119    1.1764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6485    2.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990   -0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4803    0.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4484   -1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3810   -2.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1639   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2446   -1.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560   -0.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7758    0.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3907   -0.6105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6871   -1.1305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6919    1.9975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3307    2.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2617    2.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9502    1.4853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5595    0.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2836   -1.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4581   -1.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    1.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4993    1.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2714   -2.2894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8327   -1.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8106   -2.6062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0140   -2.6588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8454   -1.4235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4982   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180   -0.7755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6481   -0.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1868    1.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9567    0.8491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3225   -0.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.7813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363    1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  1  0  0  0
  5 11  1  0  0  0  0
  5 20  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  6  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15511175

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
341

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAAsWLAAAAAWAACwAAAAHgAAAAAADSjBgAQAAAMAAACIACFSEAAAAAAgAAAIAAEIAAgAABIAwQAEAAAABgCAAAEYicCeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>R</I>,9<I>R</I>)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.0<SUP>2,7</SUP>]tridecan-6-one

> <PUBCHEM_IUPAC_NAME>
(1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12-,13+,14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OKTIETCHYDTVGN-HZSPNIEDSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
248.188863393

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
248.36

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCCN1CC2CC(C1)C3CCCC(=O)N3C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCCN1C[C@H]2C[C@@H](C1)[C@H]3CCCC(=O)N3C2

> <PUBCHEM_CACTVS_TPSA>
23.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
248.188863393

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  19  5
5  20  5
6  21  6

$$$$
