Basic information
- CAS
66843-03-6- Standard SMILES
CCCCC=C(C)C1(C)C(=O)NC(=O)NC1=O- InChIKey
COHXZXCRMADMTH-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 5-(Hept-2-en-2-yl)-4,6-dihydroxy-5-methylpyrimidin-2(5H)-one
- IUPAC
- 5-hept-2-en-2-yl-5-methyl-1,3-diazinane-2,4,6-trione
Names & synonyms
DTXSID409854485-(Hept-2-en-2-yl)-4,6-dihydroxy-5-methylpyrimidin-2(5H)-one
Database identifiers
- CAS
66843-03-6- PubChem CID
- 48158
- DTXSID
DTXSID40985448
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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