N-(2-methylfuran-3-yl)formamide

• ChemBase ID: 278716
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: c1(c(occ1)C)NC=O
• Canonical SMILES: Cc1occc1NC=O
• InChI: InChI=1S/C6H7NO2/c1-5-6(7-4-8)2-3-9-5/h2-4H,1H3,(H,7,8)
• InChIKey: UTESYOMCJPLCCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylfuran-3-yl)formamide
• IUPAC Traditional name: N-(2-methylfuran-3-yl)formamide
• Synonyms: N-(2-methylfuran-3-yl)formamide

Database IDs

• MDL Number: MFCD09881363
• PubChem SID: 164334626
• PubChem CID: 33727900

CALCULATED PROPERTIES

• Acid pKa: 12.988052
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5020643
• LogD (pH = 7.4): 0.5020633
• Log P: 0.50206435
• Molar Refractivity: 34.0936 cm^3
• Polarizability: 12.042705 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.28

Product Information

• Purity: 95%