GZY
Summary
| Name: | 1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-[(2~{S})-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C(N(C(=O)C)CC1)c2cccc(c2)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c1-10(15)14-8-4-7-13(14)11-5-3-6-12(9-11)16-2/h3,5-6,9,13H,4,7-8H2,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | BTTYWNVACUVDJT-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@@H]2CCCN2C(C)=O |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)[CH]2CCCN2C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCC[C@H]1c2cccc(c2)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCCC1c2cccc(c2)OC |
