5,6-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 308912
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: [nH]1c(c(ccc1=O)C)C
• Canonical SMILES: Cc1c(C)ccc(=O)[nH]1
• InChI: InChI=1S/C7H9NO/c1-5-3-4-7(9)8-6(5)2/h3-4H,1-2H3,(H,8,9)
• InChIKey: MIMWDGDLJCJLQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5,6-dimethyl-1H-pyridin-2-one
• Synonyms: 5,6-dimethyl-2(1H)-pyridinone

Database IDs

• CAS Number: 27992-31-0
• MDL Number: MFCD00859248

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.46229568
• LogD (pH = 7.4): 0.46228066
• Log P: 0.4622959
• Molar Refractivity: 38.1464 cm^3
• Polarizability: 13.618188 Å^3
• Polar Surface Area: 29.1 Å^2