piperidine-2,4-dione

• ChemBase ID: 66680
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: N1C(=O)CC(=O)CC1
• Canonical SMILES: O=C1CCNC(=O)C1
• InChI: InChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h1-3H2,(H,6,8)
• InChIKey: RDNZDMDLRIQQAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-2,4-dione
• IUPAC Traditional name: piperidine-2,4-dione
• Synonyms: Piperidine-2,4-dione; 2,4-Piperidinedione

Database IDs

• CAS Number: 50607-30-2
• MDL Number: MFCD06797467
• PubChem SID: 162032417
• PubChem CID: 10887863

CALCULATED PROPERTIES

• Acid pKa: 10.612213
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6464199
• LogD (pH = 7.4): -0.6466827
• Log P: -0.64641654
• Molar Refractivity: 27.3981 cm^3
• Polarizability: 10.563849 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%