Barbituric acid, 5-allyl-5-(2-methoxypropyl)-
Basic information
- CAS
7548-68-7- Standard SMILES
C=CCC1(CC(C)OC)C(=O)NC(=O)NC1=O- InChIKey
SYYKWEOXGOHBFJ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.111007
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(2-methoxypropyl)-
- IUPAC
- 5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
7548-68-7BARBITURIC ACID, 5-ALLYL-5-(2-METHOXYPROPYL)-RefChem:10776235-Allyl-5-(2-methoxypropyl)barbituric acidBRN 0752988DTXSID509969444,6-Dihydroxy-5-(2-methoxypropyl)-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one
Database identifiers
- CAS
7548-68-7- PubChem CID
- 24189
- DTXSID
DTXSID50996944
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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