132317528
  -OEChem-06192423292D

 31 32  0     1  0  0  0  0  0999 V2000
    5.2423    2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    0.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3261    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1391    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826    0.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4491    0.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7055    1.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4366    1.9938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653    2.4815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315    0.7223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317528

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
327

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCjBmAQwwILAAACIAiVSUACCAAAhAgAIiIEIZMgIIDLA0ZGEIAhglgDIyIcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(5-oxopyrrolidin-2-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(5-oxo-2-pyrrolidinyl)phenyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(5-oxopyrrolidin-2-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(5-oxopyrrolidin-2-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(5-oxidanylidenepyrrolidin-2-yl)phenyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(5-ketopyrrolidin-2-yl)phenyl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H14N2O2/c1-2-12(16)14-10-6-4-3-5-9(10)11-7-8-13(17)15-11/h2-6,11H,1,7-8H2,(H,14,16)(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
GLFZZMRAMUGMLD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
230.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C13H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
230.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1=CC=CC=C1C2CCC(=O)N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1=CC=CC=C1C2CCC(=O)N2

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
10  12  8
11  13  8
12  14  8
13  14  8
5  8  3
8  10  8
8  11  8

$$$$
