| Canonical Smiles | C1CNCC1Br |
|---|---|
| IUPAC Name | (3S)-3-bromopyrrolidine |
| InChIKey | UKYCQJXBNJJMDX-BYPYZUCNSA-N |
| INCHI | 1S/C4H8BrN/c5-4-1-2-6-3-4/h4,6H,1-3H2/t4-/m0/s1 |
| Isomeric SMILES | C1CNC[C@H]1Br |
| PubChem CID | 45092541 |
| Molecular Weight | 240.144 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidines |
| Alternative Parents | Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 150.020 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 148.984 Da |
| Monoisotopic Mass | 148.984 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 46.800 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
