Basic information
- CAS
66940-66-7- Standard SMILES
C=C(C)C1(C2C=CCC2)C(=O)NC(=O)N(C)C1=O- InChIKey
UHPZHYWHBQNHPI-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-cyclopentenyl)-1-methyl-5-(1-methylvinyl)-
- IUPAC
- 5-cyclopent-2-en-1-yl-1-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclopentenyl)-1-methyl-5-(1-methylvinyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H16N2O3
- Molecular weight
- 248.28
Names & synonyms
66940-66-7BARBITURIC ACID, 5-(2-CYCLOPENTENYL)-1-METHYL-5-(1-METHYLVINYL)-RefChem:1077577BRN 02696515-(2-Cyclopentenyl)-1-methyl-5-(1-methylvinyl)barbituric acidDTXSID909856305-(Cyclopent-2-en-1-yl)-6-hydroxy-3-methyl-5-(prop-1-en-2-yl)pyrimidine-2,4(3H,5H)-dione5-(2-Cyclopentenyl)-1-methyl-5-(1-methylvinyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-1-methyl-5-(1-methylethenyl)-
Database identifiers
- CAS
66940-66-7- PubChem CID
- 48413
- DTXSID
DTXSID90985630- Nikkaji
- J105.435J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 7.99 · 7.99±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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