Barbituric acid, 5-ethyl-5-(1-methyl-2-butenyl)-
Basic information
- CAS
17013-35-3- Standard SMILES
C/C=C/C(C)C1(CC)C(=O)NC(=O)NC1=O- InChIKey
PUAFBJFWUGOCOU-GQCTYLIASA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(1-methyl-2-butenyl)-
- IUPAC
- 5-ethyl-5-[(E)-pent-3-en-2-yl]-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-(1-methyl-2-butenyl)barbituric acid
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
Barbituric acid, 5-ethyl-5-(1-methyl-2-butenyl)-5-Ethyl-5-(1-methyl-2-butenyl)barbituric acid17013-35-3NSC 1208632,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-2-butenyl)-5-Ethyl-5-(1-methyl-3-butenyl)-hexahydropyrimidin-2,4,6-trione5-Ethyl-5-(1-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:1164792,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-2-butenyl)-(9CI)PUAFBJFWUGOCOU-GQCTYLIASA-NNSC1208635-ethyl-5-[(E)-pent-3-en-2-yl]-1,3-diazinane-2,4,6-trione
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-2-buten-1-yl)-
DTXSID001030929NSC-1208632,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-2-butenyl)-
Database identifiers
- CAS
17013-35-3- PubChem CID
- 5352733
- DTXSID
DTXSID001030929
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 365.66 °C · 365.66°C (rough estimate)
- Density
- 1.1672 · 1.1672 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- pka
- 7.85 · 7.85±0.10(Predicted)
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Compound notes
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