Basic information
- CAS
66968-89-6- Standard SMILES
CC=C(C)C1(CC)C(=O)NC(=O)N(C)C1=O- InChIKey
NCVHDTCOFYKMMM-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- 5-(But-2-en-2-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 5-but-2-en-2-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Names & synonyms
DTXSID909857765-(But-2-en-2-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
66968-89-6- PubChem CID
- 48804
- DTXSID
DTXSID90985776
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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