Basic information
- CAS
71828-05-2- Standard SMILES
Cc1ccccc1C=C1C(=O)NC(=O)NC1=O- InChIKey
YFQCFZBGKOFIMZ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 5-[(2-Methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Names & synonyms
NSC6366085-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione71828-05-2DTXSID003271685-(2-Methylbenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrioneAKOS001378662NSC-636608ST510426185-(o-tolylmethylene)hexahydropyrimidine-2,4,6-trioneZ567606775-[(2-methylphenyl)methylene]-1,3-dihydropyrimidine-2,4,6-trione
Database identifiers
- CAS
71828-05-2- PubChem CID
- 367147
- DTXSID
DTXSID00327168
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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