3-amino-1,6-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 242292
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(=O)c(ccc1C)N)C
• Canonical SMILES: Cc1ccc(c(=O)n1C)N
• InChI: InChI=1S/C7H10N2O/c1-5-3-4-6(8)7(10)9(5)2/h3-4H,8H2,1-2H3
• InChIKey: VFLVYBUNQQTDOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1,6-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-amino-1,6-dimethylpyridin-2-one
• Synonyms: 3-amino-1,6-dimethyl-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD22566019
• PubChem SID: 164298202
• PubChem CID: 71695441

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4414013
• LogD (pH = 7.4): -0.44139466
• Log P: -0.44139457
• Molar Refractivity: 42.386 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%