5-(3-Phenylprop-2-en-1-ylidene)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
23450-49-9- Standard SMILES
O=C1NC(=O)C(=CC=Cc2ccccc2)C(=O)N1- InChIKey
CRQHPZFBGAKYRX-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 5-(3-Phenylprop-2-en-1-ylidene)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-cinnamylidene-1,3-diazinane-2,4,6-trione
- English name
- 5-Cinnamylidene-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H10N2O3
- Molecular weight
- 242.23
Names & synonyms
Maybridge4_0006415-(3-phenylprop-2-en-1-ylidene)-1,3-diazinane-2,4,6-trioneSCHEMBL11598594CRQHPZFBGAKYRX-UHFFFAOYSA-NAKOS0306990945-Cinnamylidene-2,4,6(1H,3H,5H)-pyrimidinetrione5-Cinnamylidenebarbituric acid5-Cinnamylidenepyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-phenyl-2-propen-1-ylidene)-
Database identifiers
- CAS
23450-49-9- PubChem CID
- 31907
- DTXSID
DTXSID901305868
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
2 records
Compound notes
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