2-(2,6-dioxopiperidin-4-yl)acetaldehyde

• ChemBase ID: 169419
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: C1C(CC(=O)NC1=O)CC=O
• Canonical SMILES: O=CCC1CC(=O)NC(=O)C1
• InChI: InChI=1S/C7H9NO3/c9-2-1-5-3-6(10)8-7(11)4-5/h2,5H,1,3-4H2,(H,8,10,11)
• InChIKey: SOWWVOYATZCGMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dioxopiperidin-4-yl)acetaldehyde
• IUPAC Traditional name: 2-(2,6-dioxopiperidin-4-yl)acetaldehyde
• Synonyms: 2,6-Dioxo-4-piperidineacetaldehyde; NSC 407340; 3-(Formylmethyl)glutarimide

Database IDs

• CAS Number: 2066-88-8
• PubChem SID: 162263551
• PubChem CID: 348179

CALCULATED PROPERTIES

• Acid pKa: 11.796599
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2961733
• LogD (pH = 7.4): -1.2961904
• Log P: -1.2961731
• Molar Refractivity: 36.772 cm^3
• Polarizability: 14.354133 Å^3
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F700800

3-(Formylmethyl)glutarimide is a glutaramide derivative used in the preparation of antiviral agents.

REFERENCES

• Ji, X.-Y. et al.: Chem. Pharmac. Bull., 58, 1436 (2010)