A1H7Q
Summary
| Name: | 1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one |
| Formula: | C13 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 203.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R})-2-phenylpyrrolidin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO/c1-2-13(15)14-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | FMAYMWRLTDURQL-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCC[C@@H]1c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCC[CH]1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCC[C@@H]1c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCCC1c2ccccc2 |
