1-(oxolane-2-carbonyl)piperidin-4-one

• ChemBase ID: 308064
• Molecular Formular: C10H15NO3
• Molecular Mass: 197.231
• Monoisotopic Mass: 197.10519335
• SMILES: C(=O)(N1CCC(=O)CC1)C1OCCC1
• Canonical SMILES: O=C1CCN(CC1)C(=O)C1CCCO1
• InChI: InChI=1S/C10H15NO3/c12-8-3-5-11(6-4-8)10(13)9-2-1-7-14-9/h9H,1-7H2
• InChIKey: USVOCVACRQFPSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolane-2-carbonyl)piperidin-4-one
• IUPAC Traditional name: 1-(oxolane-2-carbonyl)piperidin-4-one
• Synonyms: 1-(tetrahydro-2-furanylcarbonyl)-4-piperidinone

Database IDs

• CAS Number: 1016505-60-4
• MDL Number: MFCD09930424

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.15634066
• LogD (pH = 7.4): -0.15634066
• Log P: -0.15634066
• Molar Refractivity: 50.4744 cm^3
• Polarizability: 19.719984 Å^3
• Polar Surface Area: 46.61 Å^2