9834234
  -OEChem-05102407492D

 27 29  0     1  0  0  0  0  0999 V2000
    4.3778    1.5001    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.9249    2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489   -2.8132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3860    2.5042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3860    1.5042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3778    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371    2.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371    1.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721    0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2608   -0.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881   -1.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548    3.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548    0.6644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    3.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7578    2.5092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740    3.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0849    3.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0849    0.6288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740    0.8852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5449    2.0042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5321   -0.3331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440    1.6469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8233   -1.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  3  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  1  0  0  0
  6  9  1  0  0  0  0
  6 17  1  1  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9834234

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
294

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAABYAWAAAAAsAAAABYAAAAABgAAAHAAQAAAADSjBGgQ8wJPIEACwBjRnRACigCAxEiAA2KAodJgI4OLA0ZGUIAhgkADIyA4QAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(1S,5R)-3,6-diazabicyclo[3.2.0]heptan-6-yl]pyridine-3-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(1S,5R)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinecarbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(1<I>S</I>,5<I>R</I>)-3,6-diazabicyclo[3.2.0]heptan-6-yl]pyridine-3-carbonitrile

> <PUBCHEM_IUPAC_NAME>
5-[(1S,5R)-3,6-diazabicyclo[3.2.0]heptan-6-yl]pyridine-3-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(1S,5R)-3,6-diazabicyclo[3.2.0]heptan-6-yl]pyridine-3-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[(1S,5R)-3,6-diazabicyclo[3.2.0]heptan-6-yl]nicotinonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-7-9-4-14-6-11(9)15/h1,3,5,9,11,14H,4,6-7H2/t9-,11-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GPXAWLDGWSBLKM-ONGXEEELSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
200.106196400

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12N4

> <PUBCHEM_MOLECULAR_WEIGHT>
200.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2CN(C2CN1)C3=CN=CC(=C3)C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H]2CN([C@H]2CN1)C3=CN=CC(=C3)C#N

> <PUBCHEM_CACTVS_TPSA>
52

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
200.106196400

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
10  11  8
10  12  8
11  13  8
13  14  8
3  12  8
3  14  8
5  16  5
6  17  5

$$$$