Barbituric acid, 5-ethyl-5-isopropenyl-
Basic information
- CAS
66968-60-3- Standard SMILES
C=C(C)C1(CC)C(=O)NC(=O)NC1=O- InChIKey
ARCGEFUZGYBIFB-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-isopropenyl-
- IUPAC
- 5-ethyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-isopropenylbarbituric acid
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
5-Ethyl-5-isopropenylbarbituric acidBARBITURIC ACID, 5-ETHYL-5-ISOPROPENYL-66968-60-3BRN 0167239DTXSID602171774-24-00-01984 (Beilstein Handbook Reference)NSC 120733RefChem:116480DTXCID601396685-ethyl-5-(prop-1-en-2-yl)-1,3-diazinane-2,4,6-trioneNSC120733NSC-120733
Show more names
5-Ethyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethenyl)-
DS-0089562,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethenyl)-
Database identifiers
- CAS
66968-60-3- PubChem CID
- 48771
- DTXSID
DTXSID60217177- Nikkaji
- J105.564J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
LogP0.65
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Related reactions
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Compound notes
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