Basic information
- CAS
67050-37-7- Standard SMILES
C=C(C)C1(CCCC)C(=O)NC(=O)NC1=O- InChIKey
NERXAIOLBNNJAZ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-butyl-5-isopropenyl-
- IUPAC
- 5-butyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Butyl-5-isopropenylbarbituric acid
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
BARBITURIC ACID, 5-BUTYL-5-ISOPROPENYL-5-Butyl-5-isopropenylbarbituric acid67050-37-7BRN 0209364DTXSID702173454-24-00-02003 (Beilstein Handbook Reference)NSC 126512RefChem:116478DTXCID701398365-butyl-5-(prop-1-en-2-yl)-1,3-diazinane-2,4,6-trioneNSC126512NSC-126512
Show more names
5-Butyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(1-methylethenyl)-
2,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(1-methylethenyl)-
Database identifiers
- CAS
67050-37-7- PubChem CID
- 49189
- DTXSID
DTXSID70217345- Nikkaji
- J93.551D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
LogP1.65
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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