piperidine-2,3-dione

• ChemBase ID: 309207
• Molecular Formular: C5H7NO2
• Molecular Mass: 113.11458
• Monoisotopic Mass: 113.04767847
• SMILES: C1(=O)C(=O)CCCN1
• Canonical SMILES: O=C1NCCCC1=O
• InChI: InChI=1S/C5H7NO2/c7-4-2-1-3-6-5(4)8/h1-3H2,(H,6,8)
• InChIKey: CNMOHEDUVVUVPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-2,3-dione
• IUPAC Traditional name: piperidine-2,3-dione
• Synonyms: 2,3-piperidinedione

Database IDs

• CAS Number: 41907-06-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2903898
• LogD (pH = 7.4): -0.29040286
• Log P: -0.29038963
• Molar Refractivity: 27.6039 cm^3
• Polarizability: 10.563849 Å^3
• Polar Surface Area: 46.17 Å^2