132441
  -OEChem-05032416512D

 30 31  0     1  0  0  0  0  0999 V2000
    2.0000    2.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5768    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    1.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    2.7430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.3094    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8968    0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788    0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    2.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -1.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -1.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    1.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -3.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402   -0.5908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2068   -0.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4632    0.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124    0.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -0.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465    2.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6183    2.3103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -1.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -1.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -3.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -3.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -3.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3745    2.6782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5057    3.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132441

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
285

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADQDBmAQwAINAAACIAiFSEAACAAAgAAAIiAGIAIgIYDKAkTGUIAAglgCIiAcciMCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-oxo-4-phenyl-pyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-oxo-4-phenyl-1-pyrrolidinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-keto-4-phenyl-pyrrolidino)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
LYONXVJRBWWGQO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.1

> <PUBCHEM_EXACT_MASS>
218.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
218.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  14  8
12  15  8
14  16  8
15  16  8
5  9  3
9  11  8
9  12  8

$$$$