10130417
  -OEChem-05062414302D

 33 35  0     1  0  0  0  0  0999 V2000
    4.0501    0.7746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -2.6197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -0.0910    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7078    1.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    3.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    1.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    2.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7469   -1.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159   -1.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818   -2.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337   -3.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2479    1.1236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868   -0.3916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    2.0494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    1.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3018    1.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9028    1.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    3.3037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6751    3.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2541   -0.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430    0.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675    3.1291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    2.2898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    0.7004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089   -0.0793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2727   -1.2313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685   -1.3293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554   -3.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  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 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10130417

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
209

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAABYsAAAABgAAAHAAAAAAADSjBGgQ8gJMIEACgAjBnRACCgCAxAiAI2CA4ZJgIIOLA0ZGEIAhggADIyAcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-pyridyl)-1-azabicyclo[3.2.2]nonane

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-pyridinyl)-1-azabicyclo[3.2.2]nonane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-pyridin-3-yl-1-azabicyclo[3.2.2]nonane

> <PUBCHEM_IUPAC_NAME>
2-pyridin-3-yl-1-azabicyclo[3.2.2]nonane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-pyridin-3-yl-1-azabicyclo[3.2.2]nonane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-pyridyl)-1-azabicyclo[3.2.2]nonane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H18N2/c1-2-12(10-14-7-1)13-4-3-11-5-8-15(13)9-6-11/h1-2,7,10-11,13H,3-6,8-9H2

> <PUBCHEM_IUPAC_INCHIKEY>
WIEWCOLOPGXZDJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
202.146998583

> <PUBCHEM_MOLECULAR_FORMULA>
C13H18N2

> <PUBCHEM_MOLECULAR_WEIGHT>
202.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(N2CCC1CC2)C3=CN=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(N2CCC1CC2)C3=CN=CC=C3

> <PUBCHEM_CACTVS_TPSA>
16.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.146998583

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  12  8
11  13  8
12  14  8
14  15  8
2  13  8
2  15  8
4  11  3

$$$$