46O
Summary
| Name: | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine |
| Formula: | C12 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 205.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1c2c(OCC1)cc(cc2)C3NCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | LSNPFVDQLTUQCE-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN[C@H](C1)c2ccc3OCCOc3c2 |
| SMILES | CACTVS | 3.385 | C1CN[CH](C1)c2ccc3OCCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1[C@H]3CCCN3)OCCO2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C3CCCN3)OCCO2 |
