2-ethyl-1$l^{5}-pyridin-1-one

• ChemBase ID: 109198
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: CCc1cccc[n+]1[O-]
• Canonical SMILES: CCc1cccc[n+]1[O-]
• InChI: InChI=1S/C7H9NO/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
• InChIKey: UOLHRLVWZSCASU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1$l^{5}-pyridin-1-one
• IUPAC Traditional name: 2-ethyl-1$l^{5}-pyridin-1-one
• Synonyms: 2-ETHYLPYRIDINE N-OXIDE

Database IDs

• CAS Number: 4833-24-3
• PubChem SID: 162094997
• PubChem CID: 78546

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.73505604
• LogD (pH = 7.4): 0.73508674
• Log P: 0.73508716
• Molar Refractivity: 37.2328 cm^3
• Polarizability: 13.492849 Å^3
• Polar Surface Area: 25.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210188

MP Biomedicals Rare Chemical collection