6-phenyl-1,2-dihydropyridin-2-one

• ChemBase ID: 286987
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: O=c1cccc(c2ccccc2)[nH]1
• Canonical SMILES: O=c1cccc([nH]1)c1ccccc1
• InChI: InChI=1S/C11H9NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-8H,(H,12,13)
• InChIKey: ZLUIDXRFWSPPCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-phenyl-1H-pyridin-2-one
• Synonyms: 6-Phenylpyridin-2(1H)-one

Database IDs

• CAS Number: 19006-82-7
• MDL Number: MFCD00059760
• PubChem SID: 180672518
• PubChem CID: 87889

CALCULATED PROPERTIES

• Acid pKa: 10.908429
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.314765
• LogD (pH = 7.4): 1.3146471
• Log P: 1.3147664
• Molar Refractivity: 53.7284 cm^3
• Polarizability: 19.612627 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%