53310274
  -OEChem-06192423232D

 25 26  0     0  0  0  0  0  0999 V2000
    9.7260   -0.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.9177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6798    1.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8913    1.2587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53310274

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAQAAAADAiBmAAwwILAAACIAiVSUACCAAAhAgAIiAEAZMgIIDLAlZGEIAhglADIyIcciYCeAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-oxoindolin-5-yl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-oxo-1,3-dihydroindol-5-yl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-oxidanylidene-1,3-dihydroindol-5-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-ketoindolin-5-yl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10N2O2/c1-2-10(14)12-8-3-4-9-7(5-8)6-11(15)13-9/h2-5H,1,6H2,(H,12,14)(H,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
JMHYWEUWUQCFGX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
202.074227566

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
202.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1=CC2=C(C=C1)NC(=O)C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1=CC2=C(C=C1)NC(=O)C2

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.074227566

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
5  7  8
5  8  8
7  11  8
8  10  8

$$$$
