furan-3-carboxamide

• ChemBase ID: 270913
• Molecular Formular: C5H5NO2
• Molecular Mass: 111.0987
• Monoisotopic Mass: 111.03202841
• SMILES: c1(C(=O)N)cocc1
• Canonical SMILES: NC(=O)c1cocc1
• InChI: InChI=1S/C5H5NO2/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
• InChIKey: GOLHZPOXCLTFRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-3-carboxamide
• IUPAC Traditional name: furan-3-carboxamide
• Synonyms: furan-3-carboxamide

Database IDs

• MDL Number: MFCD02179221
• PubChem SID: 164326823
• PubChem CID: 17914258

CALCULATED PROPERTIES

• Acid pKa: 13.577389
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.035868376
• LogD (pH = 7.4): -0.035868112
• Log P: -0.03586837
• Molar Refractivity: 27.6498 cm^3
• Polarizability: 10.104935 Å^3
• Polar Surface Area: 56.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): -0.169

Product Information

• Purity: 95%