8-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 291507
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: O=c1[nH]c2c(cccc2C)cc1
• Canonical SMILES: O=c1ccc2c([nH]1)c(C)ccc2
• InChI: InChI=1S/C10H9NO/c1-7-3-2-4-8-5-6-9(12)11-10(7)8/h2-6H,1H3,(H,11,12)
• InChIKey: XXPVCQMOIBCSDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 8-methyl-2-quinolone
• Synonyms: 8-Methylquinolin-2(1H)-one

Database IDs

• CAS Number: 4053-36-5
• MDL Number: MFCD13195790
• PubChem SID: 180677038
• PubChem CID: 5325167

CALCULATED PROPERTIES

• Acid pKa: 14.1109295
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1105638
• LogD (pH = 7.4): 2.1105638
• Log P: 2.1105638
• Molar Refractivity: 50.3204 cm^3
• Polarizability: 17.917053 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%