Mrv0541 11191317042D          

 12 12  0  0  0  0            999 V2000
    2.1090   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079   -1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227   -1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391   -1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5363   -0.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8209   -0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   -0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652   -0.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6781    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3941   -0.4097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9683   -1.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  9 11  2  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  5  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  8 12  1  4  0  0  0
M  END
> <ID>
CHEBI:23246

> <NAME>
cinnamamide

> <DEFINITION>
The simplest member of the class of cinnamamides that consists of acrylamide bearing a phenyl substituent at the 3-position.

> <STAR>
3

> <SYNONYM>
3-phenyl-acrylamide

> <IUPAC_NAME>
3-phenylprop-2-enamide

> <FORMULA>
C9H9NO

> <MASS>
147.17390

> <MONOISOTOPIC_MASS>
147.06841

> <CHARGE>
0

> <SMILES>
NC(=O)C=Cc1ccccc1

> <INCHI>
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)

> <INCHIKEY>
APEJMQOBVMLION-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
621-79-4

> <REAXYS_REGISTRY_NUMBER>
8198107

> <CHEMIDPLUS>
621-79-4

$$$$