1-(2-aminoethyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 265099
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(=O)cccc1)CCN
• Canonical SMILES: NCCn1ccccc1=O
• InChI: InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2
• InChIKey: IZSOENLZRWXCER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-(2-aminoethyl)pyridin-2-one
• Synonyms: 1-(2-aminoethyl)-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD09738145
• PubChem SID: 164321009
• PubChem CID: 16791350

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4604642
• LogD (pH = 7.4): -2.1451814
• Log P: -0.55644584
• Molar Refractivity: 40.8918 cm^3
• Polarizability: 15.145628 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.54

Product Information

• Purity: 95%