6-(2-aminoethyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 310118
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: [nH]1c(=O)cccc1CCN
• Canonical SMILES: NCCc1cccc(=O)[nH]1
• InChI: InChI=1S/C7H10N2O/c8-5-4-6-2-1-3-7(10)9-6/h1-3H,4-5,8H2,(H,9,10)
• InChIKey: LTSWWWJXVRGBNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-(2-aminoethyl)-1H-pyridin-2-one
• Synonyms: 6-(2-aminoethyl)-2(1H)-pyridinone

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8496015
• LogD (pH = 7.4): -2.8175762
• Log P: -0.8748974
• Molar Refractivity: 41.931 cm^3
• Polarizability: 15.145628 Å^3
• Polar Surface Area: 55.12 Å^2