31268
  -OEChem-05082416202D

 14 14  0     0  0  0  0  0  0999 V2000
    2.8090   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -0.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844    0.3805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.3805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31268

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
22.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACADBAAQAAALAAAAAAAAAAAAAAAAAAAAAAIAIAAAAAAAAgAAEAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pyrrolidine

> <PUBCHEM_IUPAC_CAS_NAME>
pyrrolidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
pyrrolidine

> <PUBCHEM_IUPAC_NAME>
pyrrolidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyrrolidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pyrrolidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
RWRDLPDLKQPQOW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
71.073499291

> <PUBCHEM_MOLECULAR_FORMULA>
C4H9N

> <PUBCHEM_MOLECULAR_WEIGHT>
71.12

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCNC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCNC1

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
71.073499291

> <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

$$$$