KSU
1-phenylpyrrolidine-2,5-dione
Created: | 2022-06-07 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | 1-phenylpyrrolidine-2,5-dione |
Synonyms | N-Phenylmaleimide (reacted form of) |
Systematic Name (OpenEye OEToolkits) | 1-phenylpyrrolidine-2,5-dione |
Formula | C10 H9 N O2 |
Molecular Weight | 175.184 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=C1CCC(=O)N1c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2C(=O)CCC2=O |
Canonical SMILES | CACTVS | 3.385 | O=C1CCC(=O)N1c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2C(=O)CCC2=O |
InChI | InChI | 1.06 | InChI=1S/C10H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChIKey | InChI | 1.06 | ZTUKZULGOCFJET-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 66519 |
ChEMBL | CHEMBL579013 |
CCDC/CSD | GIDPAK |