LCY
1-methylpyrrolidine-2,5-dione
| Created: | 2009-05-22 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 15 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 1-methylpyrrolidine-2,5-dione |
| Systematic Name (OpenEye OEToolkits) | 1-methylpyrrolidine-2,5-dione |
| Formula | C5 H7 N O2 |
| Molecular Weight | 113.115 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C(=O)CC1)C |
| SMILES | CACTVS | 3.341 | CN1C(=O)CCC1=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)CCC1=O |
| Canonical SMILES | CACTVS | 3.341 | CN1C(=O)CCC1=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)CCC1=O |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3 |
| InChIKey | InChI | 1.03 | KYEACNNYFNZCST-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 70717 |
| ChEMBL | CHEMBL317929 |
| CCDC/CSD | KOMYEQ01, KOMYEQ |
| COD | 2010914 |














