Basic information
- CAS
66940-55-4- Standard SMILES
CCC1(CC=C2CCCCC2)C(=O)NC(=O)N(C)C1=O- InChIKey
AOTSLURHBHKLMV-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-cyclohexylideneethyl)-5-ethyl-1-methyl-
- IUPAC
- 5-(2-cyclohexylideneethyl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclohexylideneethyl)-5-ethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
66940-55-4BARBITURIC ACID, 5-(2-CYCLOHEXYLIDENEETHYL)-5-ETHYL-1-METHYL-RefChem:1077576BRN 02724245-(2-Cyclohexylideneethyl)-5-ethyl-1-methylbarbituric acidDTXSID609856225-(2-Cyclohexylideneethyl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione5-(2-Cyclohexylideneethyl)-5-ethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66940-55-4- PubChem CID
- 48402
- DTXSID
DTXSID60985622- Nikkaji
- J105.420A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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