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

• ChemBase ID: 259973
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(=O)ccc(c1)N)CC
• Canonical SMILES: CCn1cc(N)ccc1=O
• InChI: InChI=1S/C7H10N2O/c1-2-9-5-6(8)3-4-7(9)10/h3-5H,2,8H2,1H3
• InChIKey: VBIGYFCWDSDNLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-ethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-amino-1-ethylpyridin-2-one
• Synonyms: 5-amino-1-ethyl-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD09815182
• PubChem SID: 164315883
• PubChem CID: 20113107

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.43971086
• LogD (pH = 7.4): -0.43885943
• Log P: -0.43884856
• Molar Refractivity: 41.2404 cm^3
• Polarizability: 14.759058 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.284

Product Information

• Purity: 95%