Marvin  06201316142D          

 10 11  0  0  0  0            999 V2000
    7.4539   -4.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7394   -5.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7394   -6.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4539   -6.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1683   -6.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530   -6.4026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4379   -5.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530   -5.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1683   -5.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2629   -5.7352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  7  2  0  0  0  0
M  END
> <ID>
CHEBI:31697

> <NAME>
indolin-2-one

> <DEFINITION>
An indolinone carrying an oxo group at position 2.

> <STAR>
3

> <SYNONYM>
oxindole; Indolin-2-one; indolin-2-one; 2-oxindole; 2-indolinone; 1,3-dihydroindol-2-one

> <IUPAC_NAME>
1,3-dihydro-2H-indol-2-one

> <FORMULA>
C8H7NO

> <MASS>
133.14730

> <MONOISOTOPIC_MASS>
133.05276

> <CHARGE>
0

> <SMILES>
O=C1Cc2ccccc2N1

> <INCHI>
InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)

> <INCHIKEY>
JYGFTBXVXVMTGB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
114692

> <CAS_REGISTRY_NUMBER>
59-48-3

> <GMELIN_REGISTRY_NUMBER>
637057

> <REAXYS_REGISTRY_NUMBER>
114692

> <CHEMIDPLUS>
59-48-3

> <KEGG_COMPOUND_ACCESSION>
C12312

> <NIST_CHEMISTRY_WEBBOOK>
59-48-3

> <PUBMED_CITATION>
24433962; 24500796

$$$$