Basic information
- CAS
66968-61-4- Standard SMILES
C=C(C)C1(CC)C(=O)NC(=O)N(C)C1=O- InChIKey
FULFMHFZPUOSSW-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-
- IUPAC
- 5-ethyl-1-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-isopropenyl-1-methylbarbituric acid
- Molecular formula
- C10H14N2O3
- Molecular weight
- 210.23
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-ISOPROPENYL-1-METHYL-66968-61-4RefChem:10776945-Ethyl-5-isopropenyl-1-methylbarbituric acidBRN 0199031NSC125731NSC 125731NSC-1257312,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(1-methylethenyl)-5-Ethyl-5-isopropenyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(1-methylethenyl)-
Database identifiers
- CAS
66968-61-4- PubChem CID
- 48772
- Nikkaji
- J105.565H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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