1-methyl-3-(methylamino)pyrrolidin-2-one

• ChemBase ID: 277525
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1(=O)N(CCC1NC)C
• Canonical SMILES: CNC1CCN(C1=O)C
• InChI: InChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3
• InChIKey: SJGKIXYZIBZILH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(methylamino)pyrrolidin-2-one
• IUPAC Traditional name: 1-methyl-3-(methylamino)pyrrolidin-2-one
• Synonyms: 1-methyl-3-(methylamino)pyrrolidin-2-one

Database IDs

• MDL Number: MFCD14689499
• PubChem SID: 164333435
• PubChem CID: 22277807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.983184
• LogD (pH = 7.4): -2.4707737
• Log P: -0.97409457
• Molar Refractivity: 35.0353 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.859

Product Information

• Purity: 95%