Basic information
- CAS
66940-64-5- Standard SMILES
C=C(C)CC1(C2C=CCC2)C(=O)NC(=O)NC1=O- InChIKey
WWHBHUFPRYYVDV-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- 5-(Cyclopent-2-en-1-yl)-4,6-dihydroxy-5-(2-methylprop-2-en-1-yl)pyrimidin-2(5H)-one
- IUPAC
- 5-cyclopent-2-en-1-yl-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclopentenyl)-5-(2-methyl-2-propenyl)barbituric acid
- Molecular weight
- 0
Names & synonyms
66940-64-5DTXSID209856285-(Cyclopent-2-en-1-yl)-4,6-dihydroxy-5-(2-methylprop-2-en-1-yl)pyrimidin-2(5H)-oneRefChem:1072507DTXCID901412819BRN 02571235-(2-Cyclopentenyl)-5-(2-methylallyl)barbituric acidBARBITURIC ACID, 5-(2-CYCLOPENTENYL)-5-(2-METHYLALLYL)-5-(2-Cyclopentenyl)-5-(2-methyl-2-propenyl)barbituric acid5-(2-Cyclopentenyl)-5-(2-methyl-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66940-64-5- PubChem CID
- 48411
- DTXSID
DTXSID20985628- Nikkaji
- J105.433C
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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