U5H
Summary
| Name: | (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one |
| Formula: | C10 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 176.215 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | UIKROCXWUNQSPJ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H](CCC1=O)c2cccnc2 |
| SMILES | CACTVS | 3.385 | CN1[CH](CCC1=O)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@@H](CCC1=O)c2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(CCC1=O)c2cccnc2 |
