3-amino-1,4-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 236045
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(=O)c(c(ccn1C)C)N
• Canonical SMILES: Cc1ccn(c(=O)c1N)C
• InChI: InChI=1S/C7H10N2O/c1-5-3-4-9(2)7(10)6(5)8/h3-4H,8H2,1-2H3
• InChIKey: MWKCQKVQIOJRKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1,4-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-amino-1,4-dimethylpyridin-2-one
• Synonyms: 3-amino-1,4-dimethyl-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD22196499
• PubChem SID: 164291955
• PubChem CID: 71755629

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4001127
• 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): -0.364

Product Information

• Purity: 95%