HXY
Summary
| Name: | 1-(4-bromobenzyl)pyrrolidine |
| Formula: | C11 H14 Br N |
| Formal charge: | 0 |
| Formula weight: | 240.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-bromobenzyl)pyrrolidine |
| OpenEye OEToolkits | 1.7.6 | 1-[(4-bromophenyl)methyl]pyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)CN2CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H14BrN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2 |
| InChIKey | InChI | 1.03 | UKJIGXJYXLVARZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(CN2CCCC2)cc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(CN2CCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN2CCCC2)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN2CCCC2)Br |
