Basic information
- CAS
35305-10-3- Standard SMILES
CCC1(C2=CC(=O)CCC2)C(=O)NC(=O)NC1=O- InChIKey
QECKKEAIYXGFLF-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- 5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione
- IUPAC
- 5-ethyl-5-(3-oxocyclohexen-1-yl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione35305-10-33'-OxocyclobarbitalCyclobarbital, (3-oxo)-DTXSID50336068QECKKEAIYXGFLF-UHFFFAOYSA-NBarbituric acid, 5-ethyl-5-(3-oxo-1-cyclohexen-1-yl)-5-Ethyl-5-(3-oxo-1-cyclohexen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione5-ETHYL-5-(3-OXOCYCLOHEX-1-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE5-Ethyl-5-(3-oxo-1-cyclohexen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione #
Database identifiers
- CAS
35305-10-3- PubChem CID
- 528892
- DTXSID
DTXSID50336068
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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