N-(oxolan-3-yl)benzamide

• ChemBase ID: 796547
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: c1(ccccc1)C(=O)NC1COCC1
• Canonical SMILES: O=C(c1ccccc1)NC1COCC1
• InChI: InChI=1S/C11H13NO2/c13-11(9-4-2-1-3-5-9)12-10-6-7-14-8-10/h1-5,10H,6-8H2,(H,12,13)
• InChIKey: XBAZEVDGHSOGEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-3-yl)benzamide
• IUPAC Traditional name: N-(oxolan-3-yl)benzamide
• Synonyms: N-(Tetrahydrofuran-3-yl)benzaMide

Database IDs

• CAS Number: 872303-09-8

CALCULATED PROPERTIES

• Acid pKa: 15.065154
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.94878834
• LogD (pH = 7.4): 0.9487885
• Log P: 0.9487885
• Molar Refractivity: 53.6432 cm^3
• Polarizability: 20.490955 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%