A1JFZ
Summary
| Name: | (3,5-dimethylfuran-2-yl)-[(2~{S})-2-(methylaminomethyl)pyrrolidin-1-yl]methanone |
| Formula: | C13 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3,5-dimethylfuran-2-yl)-[(2~{S})-2-(methylaminomethyl)pyrrolidin-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H20N2O2/c1-9-7-10(2)17-12(9)13(16)15-6-4-5-11(15)8-14-3/h7,11,14H,4-6,8H2,1-3H3/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | JLLBQEBBDUVKRO-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@@H]1CCCN1C(=O)c2oc(C)cc2C |
| SMILES | CACTVS | 3.385 | CNC[CH]1CCCN1C(=O)c2oc(C)cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(oc1C(=O)N2CCC[C@H]2CNC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(oc1C(=O)N2CCCC2CNC)C |
