octahydroimidazolidino[1,5-a]pyridin-3-one

• ChemBase ID: 264885
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: C1(=O)N2C(CN1)CCCC2
• Canonical SMILES: O=C1NCC2N1CCCC2
• InChI: InChI=1S/C7H12N2O/c10-7-8-5-6-3-1-2-4-9(6)7/h6H,1-5H2,(H,8,10)
• InChIKey: QIWVINXQBDDSBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydroimidazolidino[1,5-a]pyridin-3-one
• IUPAC Traditional name: hexahydro-1H-imidazolidino[1,5-a]pyridin-3-one
• Synonyms: octahydroimidazolidino[1,5-a]pyridin-3-one

Database IDs

• MDL Number: MFCD14705665
• PubChem SID: 164320795
• PubChem CID: 47002315

CALCULATED PROPERTIES

• Acid pKa: 14.230378
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.045802556
• LogD (pH = 7.4): 0.045802537
• Log P: 0.045802593
• Molar Refractivity: 37.6759 cm^3
• Polarizability: 14.531129 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.017

Product Information

• Purity: 95%