Barbituric acid, 5-allyl-5-(1-methylpropenyl)-
Basic information
- CAS
66941-81-9- Standard SMILES
C=CCC1(/C(C)=C/C)C(=O)NC(=O)NC1=O- InChIKey
WPIQHWSPEILYJT-FNORWQNLSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(1-methylpropenyl)-
- IUPAC
- 5-[(E)-but-2-en-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ALLYL-5-(1-METHYLPROPENYL)-66941-81-9RefChem:1077616Secobarbital M (OH, -H2O)BRN 02019375-Allyl-5-(1-methylpropenyl)barbituric acid4-24-00-02042 (Beilstein Handbook Reference)WPIQHWSPEILYJT-FNORWQNLSA-NNSC 125750
Database identifiers
- CAS
66941-81-9- PubChem CID
- 5352735
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
LogP2.15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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