2-oxo-2H-pyran-5-carbonitrile

• ChemBase ID: 310149
• Molecular Formular: C6H3NO2
• Molecular Mass: 121.09352
• Monoisotopic Mass: 121.01637834
• SMILES: c1(C#N)coc(=O)cc1
• Canonical SMILES: N#Cc1ccc(=O)oc1
• InChI: InChI=1S/C6H3NO2/c7-3-5-1-2-6(8)9-4-5/h1-2,4H
• InChIKey: BSKONEMTLKHESY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-2H-pyran-5-carbonitrile
• IUPAC Traditional name: 6-oxopyran-3-carbonitrile
• Synonyms: 2-oxo-2H-pyran-5-carbonitrile

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.40569192
• LogD (pH = 7.4): 0.40569192
• Log P: 0.40569192
• Molar Refractivity: 31.074 cm^3
• Polarizability: 11.227669 Å^3
• Polar Surface Area: 50.09 Å^2