4,5-dihydrofuran-2-carbonitrile

• ChemBase ID: 283926
• Molecular Formular: C5H5NO
• Molecular Mass: 95.0993
• Monoisotopic Mass: 95.03711379
• SMILES: N#CC1=CCCO1
• Canonical SMILES: N#CC1=CCCO1
• InChI: InChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h2H,1,3H2
• InChIKey: ZMMRMSTYDMIIAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dihydrofuran-2-carbonitrile
• IUPAC Traditional name: 4,5-dihydrofuran-2-carbonitrile
• Synonyms: 4,5-dihydrofuran-2-carbonitrile

Database IDs

• MDL Number: MFCD20502020
• PubChem SID: 180669457
• PubChem CID: 13624042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.26483464
• LogD (pH = 7.4): 0.26483464
• Log P: 0.26483464
• Molar Refractivity: 26.9312 cm^3
• Polarizability: 9.518757 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.645

Product Information

• Purity: 95%