Marvin  05071312182D          

  7  7  0  0  0  0            999 V2000
   17.9108  -12.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1262  -11.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4587  -12.4200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8712  -11.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0462  -11.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7914  -11.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4587  -13.2450    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
  7  3  1  0  0  0  0
M  END
> <ID>
CHEBI:7307

> <NAME>
N-methylpyrrolidin-2-one

> <DEFINITION>
A member of the class of  pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group.

> <STAR>
3

> <SYNONYM>
NMP; N-methyl-gamma-butyrolactam; N-methyl-alpha-pyrrolidone; N-methyl-alpha-pyrrolidinone; N-Methyl-2-pyrrolidinone; 1-methylazacyclopentan-2-one; 1-Methyl-2-pyrrolidinone

> <IUPAC_NAME>
1-methylpyrrolidin-2-one

> <FORMULA>
C5H9NO

> <MASS>
99.13110

> <MONOISOTOPIC_MASS>
99.06841

> <CHARGE>
0

> <SMILES>
CN1CCCC1=O

> <INCHI>
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3

> <INCHIKEY>
SECXISVLQFMRJM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
106420

> <CAS_REGISTRY_NUMBER>
872-50-4

> <GMELIN_REGISTRY_NUMBER>
2693

> <REAXYS_REGISTRY_NUMBER>
106420

> <CHEMIDPLUS>
872-50-4

> <KEGG_COMPOUND_ACCESSION>
C11118

> <NIST_CHEMISTRY_WEBBOOK>
872-50-4

> <PDBECHEM_ACCESSION>
MB3

> <WIKIPEDIA_ACCESSION>
N-Methyl-2-pyrrolidone

> <PUBMED_CITATION>
23337464; 24446970

$$$$