Basic information
- CAS
66942-08-3- Standard SMILES
C=C(Br)CC1(C2C=CCC2)C(=O)NC(=O)NC1=O- InChIKey
RHOHXKFFYZVGKS-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O3
- Average molar mass
- 313.15 g/mol
- Monoisotopic mass
- 312.01095
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-
- IUPAC
- 5-(2-bromoprop-2-enyl)-5-cyclopent-2-en-1-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Bromo-2-propenyl)-5-(2-cyclopentenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C12H13BrN2O3
- Molecular weight
- 313.15
Names & synonyms
66942-08-3BARBITURIC ACID, 5-(2-BROMOALLYL)-5-(2-CYCLOPENTENYL)-RefChem:1077554BRN 02683705-(2-Bromoallyl)-5-(2-cyclopentenyl)barbituric acidDTXSID009856815-(2-Bromoprop-2-en-1-yl)-5-(cyclopent-2-en-1-yl)-4,6-dihydroxypyrimidin-2(5H)-one5-(2-Bromo-2-propenyl)-5-(2-cyclopentenyl)barbituric acid5-(2-Bromo-2-propenyl)-5-(2-cyclopentenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(2-cyclopenten-1-yl)-
Database identifiers
- CAS
66942-08-3- PubChem CID
- 48593
- DTXSID
DTXSID00985681- Nikkaji
- J93.493C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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