Barbituric acid, 5-allyl-1-phenyl-
Basic information
- CAS
786-56-1- Standard SMILES
C=CCC1C(=O)NC(=O)N(c2ccccc2)C1=O- InChIKey
MHZWCBPOTIWXCV-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1-phenyl-
- IUPAC
- 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1-phenylbarbituric acid
- Molecular formula
- C13H12N2O3
- Molecular weight
- 244.25
Names & synonyms
786-56-1BARBITURIC ACID, 5-ALLYL-1-PHENYL-RefChem:10776085-Allyl-1-phenylbarbituric acidBRN 07511655-Allyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-allyl-1-phenyl-SCHEMBL2364824DTXSID209998816-Hydroxy-3-phenyl-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-phenyl-5-(2-propen-1-yl)-
Database identifiers
- CAS
786-56-1- PubChem CID
- 13082
- DTXSID
DTXSID20999881- Nikkaji
- J54.716F
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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