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

• ChemBase ID: 242707
• Molecular Formular: C7H8N4O
• Molecular Mass: 164.16462
• Monoisotopic Mass: 164.0698109
• SMILES: [N+](=[N-])=NCCn1c(=O)cccc1
• Canonical SMILES: [N-]=[N+]=NCCn1ccccc1=O
• InChI: InChI=1S/C7H8N4O/c8-10-9-4-6-11-5-2-1-3-7(11)12/h1-3,5H,4,6H2
• InChIKey: ULIAXQXOOBWUDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14658361
• PubChem SID: 164298617
• PubChem CID: 61396636

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.25673473
• LogD (pH = 7.4): 0.25673473
• Log P: 0.37078038
• Molar Refractivity: 45.5268 cm^3
• Polarizability: 15.925489 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.123

Product Information

• Purity: 95%