Basic information
- CAS
31489-19-7- Standard SMILES
Cc1ccc(C)c(N2C(=O)C=CC2=O)c1- InChIKey
JTMRNNLDGAGYQJ-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 1-(2,5-dimethylphenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(2,5-dimethylphenyl)pyrrole-2,5-dione
- English name
- 1-(2,5-Dimethyl-phenyl)-pyrrole-2,5-dione
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
1-(2,5-dimethylphenyl)-1H-pyrrole-2,5-dione31489-19-71H-Pyrrole-2,5-dione, 1-(2,5-dimethylphenyl)-DTXSID40351785RefChem:74007DTXCID20302851JTMRNNLDGAGYQJ-UHFFFAOYSA-N1-(2,5-dimethylphenyl)pyrrole-2,5-dioneMFCD001753921-(2,5-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneF3205-00201-(2,5-dimethylphenyl)azoline-2,5-dione
Show more names
AURORA 14172AKOS MSC-0073ASISCHEM C66335N-(2,5-Dimethylphenyl)-maleimide1-(2,5-Dimethyl-phenyl)-pyrrole-2,5-dione1-(2,5-dimethylphenyl)-3-pyrroline-2,5-quinone
Cyto9B2SCHEMBL7607085CHEMBL4547887SMSSF-0054299ALBB-017516SBB082526STK094991AKOS000116616
Database identifiers
- CAS
31489-19-7- PubChem CID
- 709153
- DTXSID
DTXSID40351785- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- HazardClass
- 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_class
- IRRITANT
Chemistry & industry
Suppliers4 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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