Basic information
- CAS
99901-12-9- Standard SMILES
C=CCC1(CC(=C)O)C(=O)NC(=O)NC1=O- InChIKey
LJPPEXPOPSQRGX-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-
- IUPAC
- 5-(2-hydroxyprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ALLYL-5-(2-HYDROXYALLYL)-99901-12-9DTXSID602443075-Allyl-5-(2-hydroxy-2-propenyl)-hexahydropyrimidin-2,4,6-trioneRefChem:320754DTXCID20166798LJPPEXPOPSQRGX-UHFFFAOYSA-NAcide 5-allyl-5-(beta-hydroxyallyl)barbiturique [French]5-Allyl-5-(beta-hydroxyallyl)barbiturique [French]5-Allyl-5-(beta-hydroxyallyl)barbituriqueAcide 5-allyl-5-(beta-hydroxyallyl)barbiturique5-(2-hydroxyprop-2-en-1-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Show more names
5-Allyl-5-(.beta.-hydroxyallyl)barbituriqueAcide 5-allyl-5-(.beta.-hydroxyallyl)barbiturique5-Allyl-5-(2-hydroxy-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione #
Database identifiers
- CAS
99901-12-9- PubChem CID
- 57582
- DTXSID
DTXSID60244307- Nikkaji
- J84.846H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…