| Molecular Formula | C15H20BrNO2 |
| Canonicalized Compound | 1 |
| Compound Complexity | 319 |
| Rotatable Bond Count | 3 |
| Allowed IUPAC Name | tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate |
| CAS-like Style IUPAC Name | 3-(4-bromophenyl)-1-pyrrolidinecarboxylic acid tert-butyl ester |
| Markup IUPAC Name | <I>tert</I>-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate |
| Preferred IUPAC Name | tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate |
| Systematic IUPAC Name | tert-butyl 3-(4-bromophenyl)pyrrolidine-1-carboxylate |
| Traditional IUPAC Name | 3-(4-bromophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester |
| Standard InChI | InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11/h4-7,12H,8-10H2,1-3H3 |
| Standard InChIKey | NFTKVQYDQFSNHQ-UHFFFAOYSA-N |
| XLogP3-AA Log P | 3.7 |
| Exact Mass | 325.06774 |
| Molecular Weight | 326.23 |
| Canonical SMILES | CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)Br |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)Br |
| Polar Surface Area Topological | 29.5 |
| MonoIsotopic Weight | 325.06774 |
| Hydrogen Bond Acceptor Count | 2 |
| Chemical Structure |  |
| Class | Specialty Materials |
