5-Ethyl-5-(bicyclo(3.2.1)octenyl)barbituric acid
[CAS# 3625-25-0]

Identification

• Name: 5-Ethyl-5-(bicyclo(3.2.1)octenyl)barbituric acid
• Synonyms: 5-(3-Bicyclo[3.2.1]Oct-3-Enyl)-5-Ethyl-Hexahydropyrimidine-2,4,6-Trione; 5-(3-Bicyclo[3.2.1]Oct-3-Enyl)-5-Ethylhexahydropyrimidine-2,4,6-Trione; 5-(3-Bicyclo[3.2.1]Oct-3-Enyl)-5-Ethyl-Barbituric Acid
• Molecular Formula: C₁₄H₁₈N₂O₃
• Molecular Weight: 262.31
• CAS Registry Number: 3625-25-0
• SMILES: C(C3(C1=CC2CC(C1)CC2)C(=O)NC(=O)NC3=O)C
• InChI: 1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
• InChIKey: MKELYWOVSPVORM-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493