Marvin  01290915122D          

  7  6  0  0  0  0            999 V2000
   -1.1786    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2504    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2504   -0.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -0.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  4  0  0  0
M  END
> <ID>
CHEBI:51692

> <NAME>
4-aminopent-3-en-2-one

> <STAR>
3

> <SYNONYM>
4-amino-3-penten-2-one

> <IUPAC_NAME>
4-aminopent-3-en-2-one

> <FORMULA>
C5H9NO

> <MASS>
99.13110

> <MONOISOTOPIC_MASS>
99.06841

> <CHARGE>
0

> <SMILES>
CC(N)=CC(C)=O

> <INCHI>
InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3

> <INCHIKEY>
OSLAYKKXCYSJSF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1209344

> <CAS_REGISTRY_NUMBER>
1118-66-7

> <CHEMIDPLUS>
1118-66-7

$$$$