Basic information
- CAS
105280-01-1- Standard SMILES
C#Cc1cccc(N2C(=O)C=CC2=O)c1- InChIKey
ZZZLOLMQTUYXDM-UHFFFAOYSA-N- Molecular formula
- C12H7NO2
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.04767847
Names & identifiers
- Preferred name
- 1H-Pyrrole-2,5-dione, 1-(3-ethynylphenyl)-
- IUPAC
- 1-(3-ethynylphenyl)pyrrole-2,5-dione
Names & synonyms
105280-01-11-(3-ethynylphenyl)-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-(3-ethynylphenyl)-N-(3-ethynylphenyl)maleimideN-(3-ethynylphenyl)-maleimideSCHEMBL9468866DTXSID40351801ZZZLOLMQTUYXDM-UHFFFAOYSA-NSTK662552AKOS003245736
Database identifiers
- CAS
105280-01-1- PubChem CID
- 710060
- DTXSID
DTXSID40351801- Nikkaji
- J2.500.173G
Properties
Computed structural properties
- 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
- 356
Related reactions
3 records
Compound notes
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