Basic information
- CAS
22564-09-6- Standard SMILES
C=CCC1(CC(C)Br)C(=O)NC(=O)N(C)C1=O- InChIKey
OQRQJOGRHNQERN-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2O3
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 302.0266
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(2-bromopropyl)-1-methyl-
- IUPAC
- 5-(2-bromopropyl)-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
22564-09-6BARBITURIC ACID, 5-ALLYL-5-(2-BROMOPROPYL)-1-METHYL-RefChem:10776185-Allyl-5-(2-bromopropyl)-1-methylbarbituric acid1-Methyl-5-allyl-5-(2'-bromopropyl)barbituric acidDTXSID509452155-(2-Bromopropyl)-6-hydroxy-3-methyl-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
22564-09-6- PubChem CID
- 31196
- DTXSID
DTXSID50945215
Properties
Computed structural properties
- XLogP
- 2
- 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
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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