Basic information
- CAS
66968-47-6- Standard SMILES
CCC1(C=C(C)C)C(=O)NC(=O)NC1=O- InChIKey
ZBQQEOUMMVHQSV-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-(1-isobutenyl)-
- IUPAC
- 5-ethyl-5-(2-methylprop-1-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-isobutenylbarbituric acid
- Molecular formula
- C10H14N2O3
- Molecular weight
- 210.23
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-(1-ISOBUTENYL)-66968-47-6BRN 01996595-Ethyl-5-(1-isobutenyl)barbituric acidDTXSID402171754-24-00-01989 (Beilstein Handbook Reference)NSC 120764RefChem:320818DTXCID40139666NSC1207645-ethyl-5-(2-methylprop-1-en-1-yl)-1,3-diazinane-2,4,6-trioneNSC-120764
Show more names
5-Ethyl-5-isobutenylbarbituric acid5-Ethyl-5-isobutenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-methyl-1-propen-1-yl)-
DS-0097192,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-methyl-1-propenyl)-
Database identifiers
- CAS
66968-47-6- PubChem CID
- 48752
- DTXSID
DTXSID40217175- Nikkaji
- J105.545C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 128 · 128-129 °C
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 7.76 · 7.76±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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