5-amino-1-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 260255
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1(c(=O)ccc(c1)N)C
• Canonical SMILES: Nc1ccc(=O)n(c1)C
• InChI: InChI=1S/C6H8N2O/c1-8-4-5(7)2-3-6(8)9/h2-4H,7H2,1H3
• InChIKey: OQHLYZTVUZZSRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-amino-1-methylpyridin-2-one
• Synonyms: 5-amino-1-methyl-1,2-dihydropyridin-2-one; 5-Amino-1-methylpyridin-2(1H)-one

Database IDs

• CAS Number: 33630-96-5
• MDL Number: MFCD09814480
• PubChem SID: 164316165
• PubChem CID: 10220005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7956565
• LogD (pH = 7.4): -0.7956565
• Log P: -0.7956565
• Molar Refractivity: 36.4918 cm^3
• Polarizability: 12.922327 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.813

Product Information

• Purity: 95%; 95+%