MB3
Summary
| Name: | 1-methylpyrrolidin-2-one |
| Formula: | C5 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 99.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methylpyrrolidin-2-one |
| OpenEye OEToolkits | 1.7.0 | 1-methylpyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N(C)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1CCCC1=O |
| SMILES | CACTVS | 3.370 | CN1CCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1CCCC1=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCCC1=O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 |
| InChIKey | InChI | 1.03 | SECXISVLQFMRJM-UHFFFAOYSA-N |
