06D
Summary
| Name: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one |
| Formula: | C14 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 233.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | WEJKDJNGWBEPQM-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCC[C@H]1c2ccc(OC)cc2 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCC[CH]1c2ccc(OC)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCCC1c2ccc(cc2)OC |
