132317225
  -OEChem-08082410242D

 27 27  0     1  0  0  0  0  0999 V2000
    5.5202   -0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.0186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.5202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.4798    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2601   -2.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -0.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -2.1475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -2.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.5682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8649    0.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988    0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6245   -2.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    0.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0892    2.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    2.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    3.1402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317225

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
258

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADijBgAQCAALAAACIACFSEACAAAAAAAAIAIGIAEAAQBAAwCAUAAAAFgCAAIAEAAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4,4-dimethyl-2-oxo-pyrrolidin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4,4-dimethyl-2-oxo-3-pyrrolidinyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4,4-dimethyl-2-oxopyrrolidin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-keto-4,4-dimethyl-pyrrolidin-3-yl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14N2O2/c1-4-6(12)11-7-8(13)10-5-9(7,2)3/h4,7H,1,5H2,2-3H3,(H,10,13)(H,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
BEBYLAPLOZMSAC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
182.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
182.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CNC(=O)C1NC(=O)C=C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CNC(=O)C1NC(=O)C=C)C

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
6  4  3

$$$$
