1-(2-aminopropyl)pyrrolidin-2-one

• ChemBase ID: 263052
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)CCC1)CC(N)C
• Canonical SMILES: CC(CN1CCCC1=O)N
• InChI: InChI=1S/C7H14N2O/c1-6(8)5-9-4-2-3-7(9)10/h6H,2-5,8H2,1H3
• InChIKey: SRQRJFRBBMWDKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropyl)pyrrolidin-2-one
• IUPAC Traditional name: 1-(2-aminopropyl)pyrrolidin-2-one
• Synonyms: 1-(2-aminopropyl)pyrrolidin-2-one

Database IDs

• MDL Number: MFCD09733761
• PubChem SID: 164318962
• PubChem CID: 16787003

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7125034
• LogD (pH = 7.4): -2.6895938
• Log P: -0.736342
• Molar Refractivity: 39.5232 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.434

Product Information

• Purity: 95%