1-ethylpiperidine-2,6-dione

• ChemBase ID: 168084
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: C1CCC(=O)N(C1=O)CC
• Canonical SMILES: CCN1C(=O)CCCC1=O
• InChI: InChI=1S/C7H11NO2/c1-2-8-6(9)4-3-5-7(8)10/h2-5H2,1H3
• InChIKey: RBMFXCRKRCRFAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperidine-2,6-dione
• IUPAC Traditional name: 1-ethylpiperidine-2,6-dione
• Synonyms: 1-Ethyl-2,6-piperidinedione; N-Ethylglutarimide

Database IDs

• CAS Number: 25115-65-5
• PubChem SID: 162262216
• PubChem CID: 12752640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.031581126
• LogD (pH = 7.4): 0.031581126
• Log P: 0.031581126
• Molar Refractivity: 36.5277 cm^3
• Polarizability: 14.211085 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true