1-((4-methylphenyl)methyl)-1H-pyrrole-2,5-dione
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Basic information
- CAS
42867-34-5- Standard SMILES
Cc1ccc(CN2C(=O)C=CC2=O)cc1- InChIKey
PKRXXDLNTFLPRG-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 1-((4-methylphenyl)methyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
- English name
- 1-((4-METHYLPHENYL)METHYL)-1H-PYRROLE-2,5-DIONE
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
42867-34-51-(4-methylbenzyl)-1H-pyrrole-2,5-dione1-((4-methylphenyl)methyl)-1H-pyrrole-2,5-dione1-[(4-methylphenyl)methyl]pyrrole-2,5-dioneF3205-00191-[(4-Methylphenyl)methyl]-1H-pyrrole-2,5-dioneNSC186043Cyto9H11Maybridge3_005976SCHEMBL4800190DTXSID00307026HMS1447P14
Show more names
AKOS MSC-0040N-((4-METHYLPHENYL)METHYL)MALEIMIDE1H-Pyrrole-2,5-dione, 1-[(4-methylphenyl)methyl]-
SMSSF-0054605STL020772AKOS000249135NSC-186043IDI1_017363DB-070364ST504045291-[(4-methylphenyl)methyl]azoline-2,5-dione
Database identifiers
- CAS
42867-34-5- PubChem CID
- 302279
- DTXSID
DTXSID00307026- Nikkaji
- J466.404C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 353.3 · 353.3±21.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- -2.32 · -2.32±0.20(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- hazard_code
- Xi
- hazard_note
- Irritant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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