1-cyclopropylpyrrolidin-3-one

• ChemBase ID: 262720
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: N1(C2CC2)CC(=O)CC1
• Canonical SMILES: O=C1CCN(C1)C1CC1
• InChI: InChI=1S/C7H11NO/c9-7-3-4-8(5-7)6-1-2-6/h6H,1-5H2
• InChIKey: UIQCPKBTKKRXTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpyrrolidin-3-one
• IUPAC Traditional name: 1-cyclopropylpyrrolidin-3-one
• Synonyms: 1-cyclopropylpyrrolidin-3-one

Database IDs

• MDL Number: MFCD11640507
• PubChem SID: 164318630
• PubChem CID: 23053200

CALCULATED PROPERTIES

• Acid pKa: 17.824924
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.36103106
• LogD (pH = 7.4): 0.37621534
• Log P: 0.40168458
• Molar Refractivity: 34.9753 cm^3
• Polarizability: 13.764601 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.636

Product Information

• Purity: 95%