62092726
  -OEChem-06192423232D

 24 24  0     1  0  0  0  0  0999 V2000
    2.8660   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -2.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62092726

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
213

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAACCjBgAQAAALAAACIACFSEACAAAAAAAAIAIGIAEAAQBIAgCAUAAAAFgCAAIAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-oxo-3-piperidyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-oxo-3-piperidinyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-oxopiperidin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(2-oxopiperidin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-oxidanylidenepiperidin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-keto-3-piperidyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2,6H,1,3-5H2,(H,9,12)(H,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
YSFIYOWZDQPVLV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
168.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
168.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1CCCNC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1CCCNC1=O

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
168.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$
