5-amino-1,3-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 240423
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(=O)c(cc(c1)N)C)C
• Canonical SMILES: Nc1cc(C)c(=O)n(c1)C
• InChI: InChI=1S/C7H10N2O/c1-5-3-6(8)4-9(2)7(5)10/h3-4H,8H2,1-2H3
• InChIKey: FRVNECZIBLUFEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1,3-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-amino-1,3-dimethylpyridin-2-one
• Synonyms: 5-amino-1,3-dimethyl-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD22392137
• PubChem SID: 164296333
• PubChem CID: 67456616

CALCULATED PROPERTIES

• Molar Refractivity: 40.8489 cm^3
• Polarizability: 14.759058 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.40088427
• LogD (pH = 7.4): -0.40011582
• Log P: -0.400106

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.314

Product Information

• Purity: 95%