1-cyclopropyl-4-hydroxypyrrolidin-2-one

• ChemBase ID: 244633
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: N1(C(=O)CC(C1)O)C1CC1
• Canonical SMILES: OC1CC(=O)N(C1)C1CC1
• InChI: InChI=1S/C7H11NO2/c9-6-3-7(10)8(4-6)5-1-2-5/h5-6,9H,1-4H2
• InChIKey: RCKOGCBGTKIOBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-4-hydroxypyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopropyl-4-hydroxypyrrolidin-2-one
• Synonyms: 1-cyclopropyl-4-hydroxypyrrolidin-2-one

Database IDs

• MDL Number: MFCD19665406
• PubChem SID: 164300543
• PubChem CID: 64157880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.80936486
• LogD (pH = 7.4): -0.80936486
• Log P: -0.80936486
• Molar Refractivity: 35.5733 cm^3
• Polarizability: 14.038644 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.644034

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.098

Product Information

• Purity: 95%