Basic information
- CAS
65685-97-4- Standard SMILES
C=CCC1(CC2CO2)C(=O)NC(=O)NC1=O- InChIKey
FGXVEFBZEIUCGV-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 5-Allyl-5-(2,3-epoxypropyl)barbituric acid
- IUPAC
- 5-(oxiran-2-ylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
Allobarbital epoxide65685-97-45-Allyl-5-(2,3-epoxypropyl)barbituric acidNIOSH/CP8412700CP84127000Barbituric acid, 5-allyl-5-(2,3-epoxypropyl)-DTXSID609842315-(Oxiranylmethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(oxiranylmethyl)-5-(2-propenyl)-4,6-Dihydroxy-5-[(oxiran-2-yl)methyl]-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one
Database identifiers
- CAS
65685-97-4- PubChem CID
- 149283
- DTXSID
DTXSID60984231- Nikkaji
- J62.419E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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