Marvin  06201313142D          

  6  6  0  0  0  0            999 V2000
   10.5356   -5.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7509   -4.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0835   -5.2628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960   -3.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6710   -3.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4161   -4.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <ID>
CHEBI:36592

> <NAME>
pyrrolidin-2-one

> <DEFINITION>
The simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of γ-aminobutyric acid (GABA).

> <STAR>
3

> <SYNONYM>
Pyrrolidone; Pyrrolidinone; gamma-butyrolactam; gamma-aminobutyric lactam; gamma-aminobutyric acid lactam; Butyrolactam; alpha-pyrrolidone; alpha-pyrrolidinone; 4-aminobutyric acid lactam; 2-pyrrolidone; 2-pyrrolidinone; 2-oxopyrrolidine; 2-ketopyrrolidine; 1-azacyclopentan-2-one

> <IUPAC_NAME>
pyrrolidin-2-one

> <FORMULA>
C4H7NO

> <MASS>
85.10450

> <MONOISOTOPIC_MASS>
85.05276

> <CHARGE>
0

> <SMILES>
O=C1CCCN1

> <INCHI>
InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

> <INCHIKEY>
HNJBEVLQSNELDL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
105241

> <CAS_REGISTRY_NUMBER>
616-45-5

> <GMELIN_REGISTRY_NUMBER>
49671

> <REAXYS_REGISTRY_NUMBER>
105241

> <CHEMIDPLUS>
616-45-5

> <NIST_CHEMISTRY_WEBBOOK>
616-45-5

> <WIKIPEDIA_ACCESSION>
2-Pyrrolidone

> <PUBMED_CITATION>
10332870; 10403220; 10840398; 16321482; 22113027

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