Basic information
- CAS
66940-62-3- Standard SMILES
CC(C)CC1(C2C=CCC2)C(=O)NC(=O)N(C)C1=O- InChIKey
XPILFZSKPQJPBZ-UHFFFAOYSA-N- Molecular formula
- C14H20N2O3
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-1-methyl-
- IUPAC
- 5-cyclopent-2-en-1-yl-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclopentenyl)-5-isobutyl-1-methylbarbituric acid
- Molecular weight
- 0
Names & synonyms
66940-62-3BARBITURIC ACID, 5-(2-CYCLOPENTENYL)-5-ISOBUTYL-1-METHYL-RefChem:1077580BRN 02842695-(2-Cyclopentenyl)-5-isobutyl-1-methylbarbituric acidDTXSID009856265-(Cyclopent-2-en-1-yl)-6-hydroxy-3-methyl-5-(2-methylpropyl)pyrimidine-2,4(3H,5H)-dione5-(2-Cyclopentenyl)-5-isobutyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66940-62-3- PubChem CID
- 48409
- DTXSID
DTXSID00985626- Nikkaji
- J105.431G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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