1-(2H3)methylpyrrolidin-2-one

• ChemBase ID: 174152
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: C1CCC(=O)N1C
• Canonical SMILES: O=C1CCCN1C
• InChI: InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
• InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(^2H₃)methylpyrrolidin-2-one
• IUPAC Traditional name: 1-(^2H₃)methylpyrrolidin-2-one
• Synonyms: N-Methyl-γ-butyrolactam-d3; N-Methylbutyrolactam-d3; N-Methylpyrrolidone-d3; NMP-d3; NSC 4594-d3; Pharmasolve-d3; Pyrol M-d3; SL 1332-d3; 1-Methyl-2-pyrrolidinone-d3; 1-Methyl-5-pyrrolidinone-d3; 1-Methylazacyclopentan-2-one-d3; 1-Methylpyrrolidone-d3; AgsolEx 1-d3; M-Pyrol-d3; Microposit 2001-d3; N 0131-d3; N-Methyl-2-ketopyrrolidine-d3

Database IDs

• CAS Number: 933-86-8
• PubChem SID: 164230062
• PubChem CID: 71750536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.35593337
• LogD (pH = 7.4): -0.35593325
• Log P: -0.35593322
• Molar Refractivity: 27.1546 cm^3
• Polarizability: 10.429774 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Clear Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - M326122

Labelled 1-Methyl-2-pyrrolidinone (M326120). It is a versatile industrial solvent. NMP is currently approved for use only in veterinary pharmaceuticals. The determination of the disposition and metabolism of NMP in the rat will contribute toward understan

REFERENCES

• Southwell, D., et al.: J. Pharm. Pharmacol., 33, 3 (1981)
• Barry, W., et al.: J. Invest. Dermatol., 82, 49 (1981)