Basic information
- CAS
66942-01-6- Standard SMILES
CC(C)=CCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
DJIBGLDEWISRAV-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-benzyl-5-(3-methyl-2-butenyl)-
- IUPAC
- 5-benzyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Benzyl-5-(3-methyl-2-butenyl)barbituric acid
- Molecular formula
- C16H18N2O3
- Molecular weight
- 286.33
Names & synonyms
BARBITURIC ACID, 5-BENZYL-5-(3-METHYL-2-BUTENYL)-66942-01-6BRN 02614035-Benzyl-5-(3-methyl-2-butenyl)barbituric acidDTXSID902171405-benzyl-5-(3-methylbut-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-Benzyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methyl-2-buten-1-yl)-5-(phenylmethyl)-
Database identifiers
- CAS
66942-01-6- PubChem CID
- 48583
- DTXSID
DTXSID90217140- Nikkaji
- J93.482H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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