79637
  -OEChem-05082417092D

 10 10  0     0  0  0  0  0  0999 V2000
    4.8660   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265    0.5989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  3  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
79637

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
72.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiAAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAADQCBAAAAAAAAAAAQBAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopropanecarbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopropanecarbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopropanecarbonitrile

> <PUBCHEM_IUPAC_NAME>
cyclopropanecarbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopropanecarbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopropanecarbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
AUQDITHEDVOTCU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.3

> <PUBCHEM_EXACT_MASS>
67.042199164

> <PUBCHEM_MOLECULAR_FORMULA>
C4H5N

> <PUBCHEM_MOLECULAR_WEIGHT>
67.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1C#N

> <PUBCHEM_CACTVS_TPSA>
23.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
67.042199164

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$