Basic information
- CAS
64810-92-0- Standard SMILES
C=CCC1(C2C=CCC2)C(=O)NC(=O)N(C)C1=O- InChIKey
DKYAHYBLNOWIBA-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(2-cyclopentenyl)-1-methyl-
- IUPAC
- 5-cyclopent-2-en-1-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-5-(2-cyclopenten-1-yl)-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H16N2O3
- Molecular weight
- 248.28
Names & synonyms
64810-92-0BARBITURIC ACID, 5-ALLYL-5-(2-CYCLOPENTENYL)-1-METHYL-RefChem:1077620MethylcyclopalN-MethylcyclopentobarbitalBRN 02571175-Allyl-5-(2-cyclopentenyl)-1-methylbarbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-1-methyl-5-(2-propenyl)-DTXSID009834055-(Cyclopent-2-en-1-yl)-6-hydroxy-3-methyl-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione5-Allyl-5-(2-cyclopenten-1-yl)-1-methylbarbituric acid5-Allyl-5-(2-cyclopenten-1-yl)-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-1-methyl-5-(2-propen-1-yl)-
Database identifiers
- CAS
64810-92-0- PubChem CID
- 47463
- DTXSID
DTXSID00983405- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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