12480412
  -OEChem-05132423372D

 26 27  0     0  0  0  0  0  0999 V2000
    6.2619   -0.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.3831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.5262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -2.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -2.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    1.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8674    2.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4707    2.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6888    2.5262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12480412

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
333

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAAAAAADAyBmAQywIMAAACIAqVSUACCAAAhAgAIiAEIZMgIIDLAlZGEIAhghgDIyYcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3Z)-3-acetonylidene-1-methyl-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3Z)-1-methyl-3-(2-oxopropylidene)-2-indolone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>Z</I>)-1-methyl-3-(2-oxopropylidene)indol-2-one

> <PUBCHEM_IUPAC_NAME>
(3Z)-1-methyl-3-(2-oxopropylidene)indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3Z)-1-methyl-3-(2-oxidanylidenepropylidene)indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3Z)-3-acetonylidene-1-methyl-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7-

> <PUBCHEM_IUPAC_INCHIKEY>
CZKBLHCEDVWPRN-YFHOEESVSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
201.078978594

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
201.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C=C1C2=CC=CC=C2N(C1=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)/C=C\1/C2=CC=CC=C2N(C1=O)C

> <PUBCHEM_CACTVS_TPSA>
37.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
201.078978594

> <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>
1

> <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>
12  13  8
4  5  8
4  8  8
5  9  8
8  12  8
9  13  8

$$$$