Structure via PubChem · Public domain (PubChem)
Boroles represent a class of molecules known as metalloles, which are heterocyclic 5-membered rings. As such, they can be viewed as structural analogs of cyclopentadiene, pyrrole or furan, with boron replacing a carbon, nitrogen and oxygen atom respectively. They are isoelectronic with the cyclopentadienyl cation or abbreviated as and comprise four π electrons. Although Hückel's rule cannot be strictly applied to borole, it is considered to be antiaromatic due to having 4 π electrons. As a result, boroles exhibit unique electronic properties not found in other metalloles.
Chemical data
- Formula
- C4H5B
- Molecular weight
- 63.9 g/mol
- IUPAC name
- 1H-borole
- SMILES
- B1C=CC=C1
- InChIKey
- XQIMLPCOVYNASM-UHFFFAOYSA-N
- Polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 0
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- organoboron compound
- Has part
- hydrogen
- Mass
- 64.048431
Show 3 more facts
- canonical SMILES
- B1C=CC=C1
- chemical formula
- C₄H₅B
- Commons category
- Borole
Sources (2)
via Wikidata · CC0