326996
  -OEChem-10112120572D

 17 17  0     0  0  0  0  0  0999 V2000
    5.1630    0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939    0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678    2.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965    1.9583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    1.1305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    0.3414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094    1.9583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382    2.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
326996

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
155

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADBgAQBAANAAAAIAAEQEAAAAAAAAAAAAAEIAACAABAAgAAEAAAAByKAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-oxopyrrolidine-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-oxo-1-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-oxopyrrolidine-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-oxopyrrolidine-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-oxidanylidenepyrrolidine-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-ketopyrrolidine-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9)

> <PUBCHEM_IUPAC_INCHIKEY>
XYVMBSCIEDOIJQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.1

> <PUBCHEM_EXACT_MASS>
128.058577502

> <PUBCHEM_MOLECULAR_FORMULA>
C5H8N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
128.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)N(C1)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)N(C1)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
128.058577502

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
