2-amino-1-(pyrrolidin-1-yl)propan-1-one

• ChemBase ID: 265365
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(N1CCCC1)C(N)C
• Canonical SMILES: CC(C(=O)N1CCCC1)N
• InChI: InChI=1S/C7H14N2O/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3
• InChIKey: IVBVTDXOGUNDHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(pyrrolidin-1-yl)propan-1-one
• IUPAC Traditional name: 2-amino-1-(pyrrolidin-1-yl)propan-1-one
• Synonyms: 2-amino-1-(pyrrolidin-1-yl)propan-1-one

Database IDs

• MDL Number: MFCD09929053
• PubChem SID: 164321275
• PubChem CID: 9920411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1826413
• LogD (pH = 7.4): -1.5530754
• Log P: -0.5325043
• Molar Refractivity: 39.6539 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.511

Product Information

• Purity: 95%