piperidine-2,5-dione

• ChemBase ID: 797031
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: C1C(=O)CNC(=O)C1
• Canonical SMILES: O=C1CCC(=O)CN1
• InChI: InChI=1S/C5H7NO2/c7-4-1-2-5(8)6-3-4/h1-3H2,(H,6,8)
• InChIKey: ICZVBOAABXHPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-2,5-dione
• IUPAC Traditional name: piperidine-2,5-dione
• Synonyms: 2,5-Piperidinedione

Database IDs

• CAS Number: 52065-78-8

CALCULATED PROPERTIES

• Acid pKa: 12.126715
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.95079505
• LogD (pH = 7.4): -0.9508022
• Log P: -0.950795
• Molar Refractivity: 27.2479 cm^3
• Polarizability: 10.563849 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%