Basic information
- CAS
66941-65-9- Standard SMILES
C=CCN1C(=O)NC(=O)C(CC)(C(=C)C)C1=O- InChIKey
SGAWCNSMXBBICW-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-
- IUPAC
- 5-ethyl-5-prop-1-en-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Allyl-5-ethyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
BARBITURIC ACID, 1-ALLYL-5-ETHYL-5-ISOPROPENYL-66941-65-9RefChem:10774991-Allyl-5-ethyl-5-isopropenylbarbituric acidBRN 0217957NSC125777NSC 125777NSC-1257772,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethenyl)-1-(2-propenyl)-1-Allyl-5-ethyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethenyl)-1-(2-propen-1-yl)-
Database identifiers
- CAS
66941-65-9- PubChem CID
- 48538
- Nikkaji
- J84.839E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…