Ketcher 08171513522D 1   1.00000     0.00000     0

  6  5  0     0  0            999 V2000
   10.6769  -14.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5428  -14.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4089  -14.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750  -14.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1409  -14.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750  -13.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  4  6  2  0     0  0
M  END
> <ID>
CHEBI:87508

> <NAME>
4-penten-2-one

> <DEFINITION>
A methyl ketone that is pent-1-ene substituted by an oxo group at position 4.

> <STAR>
3

> <IUPAC_NAME>
pent-4-en-2-one

> <FORMULA>
C5H8O

> <MASS>
84.11640

> <MONOISOTOPIC_MASS>
84.05751

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3

> <INCHIKEY>
PNJWIWWMYCMZRO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13891-87-7

> <REAXYS_REGISTRY_NUMBER>
1098406

> <CHEMIDPLUS>
13891-87-7

> <PUBMED_CITATION>
11667814

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