4-(furan-3-yl)pyrrolidin-2-one

• ChemBase ID: 310112
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: N1C(=O)CC(c2cocc2)C1
• Canonical SMILES: O=C1NCC(C1)c1cocc1
• InChI: InChI=1S/C8H9NO2/c10-8-3-7(4-9-8)6-1-2-11-5-6/h1-2,5,7H,3-4H2,(H,9,10)
• InChIKey: RPUZGVLQWJIHRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-3-yl)pyrrolidin-2-one
• IUPAC Traditional name: 4-(furan-3-yl)pyrrolidin-2-one
• Synonyms: 4-(3-furyl)-2-pyrrolidinone

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.059413
• LogD (pH = 7.4): 0.05941276
• Log P: 0.05941302
• Molar Refractivity: 39.3379 cm^3
• Polarizability: 15.066612 Å^3
• Polar Surface Area: 42.24 Å^2