3-methylfuran-2-carbonyl azide

• ChemBase ID: 270078
• Molecular Formular: C6H5N3O2
• Molecular Mass: 151.1228
• Monoisotopic Mass: 151.03817642
• SMILES: [N+](=NC(=O)c1c(cco1)C)=[N-]
• Canonical SMILES: [N-]=[N+]=NC(=O)c1occc1C
• InChI: InChI=1S/C6H5N3O2/c1-4-2-3-11-5(4)6(10)8-9-7/h2-3H,1H3
• InChIKey: SWJNVIPUASLLJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylfuran-2-carbonyl azide
• IUPAC Traditional name: 3-methylfuran-2-carbonyl azide
• Synonyms: 3-methylfuran-2-carbonyl azide

Database IDs

• MDL Number: MFCD11637192
• PubChem SID: 164325988
• PubChem CID: 43307132

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9283931
• LogD (pH = 7.4): 0.9283931
• Log P: 1.0424387
• Molar Refractivity: 37.1256 cm^3
• Polarizability: 13.245064 Å^3
• Polar Surface Area: 59.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.925

Product Information

• Purity: 95%