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

• ChemBase ID: 259535
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1(c(=O)ccc(c1)N)Cc1ccccc1
• Canonical SMILES: Nc1ccc(=O)n(c1)Cc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-11-6-7-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8,13H2
• InChIKey: UFDYREYQWRJCHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-benzyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-amino-1-benzylpyridin-2-one
• Synonyms: 5-amino-1-benzyl-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD09809994
• PubChem SID: 164315445
• PubChem CID: 11593634

CALCULATED PROPERTIES

• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9279746
• LogD (pH = 7.4): 0.928806
• Log P: 0.9288166
• Molar Refractivity: 61.1044 cm^3
• Polarizability: 22.509197 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.955

Product Information

• Purity: 95%