Basic information
- CAS
66968-84-1- Standard SMILES
CCCCC=C(C)C1(CC)C(=O)NC(=O)NC1=O- InChIKey
GJOCLSJUDIOLBL-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one
- IUPAC
- 5-ethyl-5-hept-2-en-2-yl-1,3-diazinane-2,4,6-trione
Names & synonyms
DTXSID709857745-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one
Database identifiers
- CAS
66968-84-1- PubChem CID
- 48799
- DTXSID
DTXSID70985774
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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