5-amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 265009
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: n1(c(=O)ccc(c1)N)CCOC
• Canonical SMILES: COCCn1cc(N)ccc1=O
• InChI: InChI=1S/C8H12N2O2/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5,9H2,1H3
• InChIKey: JREWZUYKAWPEOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-amino-1-(2-methoxyethyl)pyridin-2-one
• Synonyms: 5-amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD09813170
• PubChem SID: 164320919
• PubChem CID: 20117994

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8434853
• LogD (pH = 7.4): -0.8426428
• Log P: -0.842632
• Molar Refractivity: 47.5353 cm^3
• Polarizability: 17.311543 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.587

Product Information

• Purity: 95%