Basic information
- CAS
21490-32-4- Standard SMILES
C=CC[C@]1(C[C@@H](C)O)C(=O)NC(=O)N(C)C1=O- InChIKey
LYRJNDHLZUYGEO-HQJQHLMTSA-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-hydroxypropyl)-1-methyl-, (2R*,3S*)-
- IUPAC
- (5S)-5-[(2R)-2-hydroxypropyl]-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- Brn 0752133
- Molecular formula
- C11H16N2O4
- Molecular weight
- 240.25574
Names & synonyms
Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-1-methyl-, (2R*,3S*)-21490-32-4DTXSID90175791(2R*,3S*)-5-Allyl-5-(2-hydroxypropyl)-1-methylbarbituric acid1-Methyl-5-allyl-5-beta-hydroxypropylbarbituric acid stereoisomer(5S)-5-[(2R)-2-Hydroxypropyl]-1-methyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trioneBrn 0752133
Database identifiers
- CAS
21490-32-4- PubChem CID
- 210683
- DTXSID
DTXSID90175791
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…