Marvin  04040811592D          

 12 13  0  0  0  0            999 V2000
   -0.2500    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644    1.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8935    1.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8935    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  8  1  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
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
 11  9  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:20114

> <NAME>
3-methylquinolin-2(1H)-one

> <STAR>
3

> <SYNONYM>
3-methylquinolin-2(1H)-one; 3-methyl-2-quinolone; 3-Methyl-2-oxo-1,2-dihydroquinoline

> <IUPAC_NAME>
3-methylquinolin-2(1H)-one

> <FORMULA>
C10H9NO

> <MASS>
159.18460

> <MONOISOTOPIC_MASS>
159.06841

> <CHARGE>
0

> <SMILES>
Cc1cc2ccccc2[nH]c1=O

> <INCHI>
InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)

> <INCHIKEY>
POYSUXIHCXBJPN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1525910

> <CAS_REGISTRY_NUMBER>
2721-59-7

$$$$