6-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 806424
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1cc2c(cc1C)ccc(=O)[nH]2
• Canonical SMILES: Cc1ccc2c(c1)ccc(=O)[nH]2
• InChI: InChI=1S/C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3,(H,11,12)
• InChIKey: LOUXUHOSYWFSHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 6-methyl-1H-quinolin-2-one
• Synonyms: 6-METHYLQUINOLIN-2(1H)-ONE

Database IDs

• CAS Number: 4053-34-3

CALCULATED PROPERTIES

• Acid pKa: 14.301609
• 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: 17.916086 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%