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

• ChemBase ID: 238685
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(=O)c(cc(c1)C)N)C
• Canonical SMILES: Cc1cn(C)c(=O)c(c1)N
• InChI: InChI=1S/C7H10N2O/c1-5-3-6(8)7(10)9(2)4-5/h3-4H,8H2,1-2H3
• InChIKey: FYMCKKFWVRGECI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22391987
• PubChem SID: 164294595
• PubChem CID: 71756216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4001122
• LogD (pH = 7.4): -0.4001061
• Log P: -0.400106
• 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

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.314

Product Information

• Purity: 95%