1-methyl-4-[(methylamino)methyl]pyrrolidin-2-one

• ChemBase ID: 306734
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)CC(C1)CNC)C
• Canonical SMILES: CNCC1CC(=O)N(C1)C
• InChI: InChI=1S/C7H14N2O/c1-8-4-6-3-7(10)9(2)5-6/h6,8H,3-5H2,1-2H3
• InChIKey: CXSRTRBJDQEIAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[(methylamino)methyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-methyl-4-[(methylamino)methyl]pyrrolidin-2-one
• Synonyms: 1-methyl-4-[(methylamino)methyl]-2-pyrrolidinone

Database IDs

• MDL Number: MFCD18916991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.293505
• LogD (pH = 7.4): -3.8802886
• Log P: -1.0603837
• Molar Refractivity: 39.8882 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2