Mrv0541 03181416082D          

  7  7  0  0  0  0            999 V2000
    3.2698   -1.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698   -2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553   -1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553   -2.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409   -1.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409   -2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9867   -2.9861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  2  0  0  0  0
M  END
> <ID>
CHEBI:77761

> <NAME>
piperidin-2-one

> <DEFINITION>
A δ-lactam that is piperidine which is substituted by an oxo group at position 2.

> <STAR>
3

> <SYNONYM>
piperidone-2; piperidone; Piperidon; piperidinone; delta-valerolactam; alpha-piperidone; 5-pentanolactam; 2-oxopiperidine; 2-oxo-piperidine

> <IUPAC_NAME>
piperidin-2-one

> <FORMULA>
C5H9NO

> <MASS>
99.13110

> <MONOISOTOPIC_MASS>
99.06841

> <CHARGE>
0

> <SMILES>
O=C1CCCCN1

> <INCHI>
InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)

> <INCHIKEY>
XUWHAWMETYGRKB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
27154-43-4

> <REAXYS_REGISTRY_NUMBER>
106434

> <CHEMIDPLUS>
675-20-7

> <NIST_CHEMISTRY_WEBBOOK>
675-20-7

> <WIKIPEDIA_ACCESSION>
2-Piperidinone

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