1-[3-(methylamino)propyl]pyrrolidin-2-one

• ChemBase ID: 278182
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C(=O)CCC1)CCCNC
• Canonical SMILES: CNCCCN1CCCC1=O
• InChI: InChI=1S/C8H16N2O/c1-9-5-3-7-10-6-2-4-8(10)11/h9H,2-7H2,1H3
• InChIKey: DUKIFQQQFXBZPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(methylamino)propyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-[3-(methylamino)propyl]pyrrolidin-2-one
• Synonyms: 1-[3-(methylamino)propyl]pyrrolidin-2-one

Database IDs

• MDL Number: MFCD14646088
• PubChem SID: 164334092
• PubChem CID: 22498215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8896947
• LogD (pH = 7.4): -3.376734
• Log P: -0.6603769
• Molar Refractivity: 44.7444 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.329

Product Information

• Purity: 95%