1-(oxiran-2-ylmethyl)pyrrolidin-2-one

• ChemBase ID: 261366
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: N1(C(=O)CCC1)CC1OC1
• Canonical SMILES: O=C1CCCN1CC1CO1
• InChI: InChI=1S/C7H11NO2/c9-7-2-1-3-8(7)4-6-5-10-6/h6H,1-5H2
• InChIKey: ZNCCGGMWVUBVBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00110048
• PubChem SID: 164317276
• PubChem CID: 2764025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5146669
• LogD (pH = 7.4): -0.5146666
• Log P: -0.5146666
• Molar Refractivity: 35.8993 cm^3
• Polarizability: 14.107494 Å^3
• Polar Surface Area: 32.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.682

Product Information

• Purity: 95%