[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane

C9H15B — CID 134979166

IUPAC[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane
SMILESCB(C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H15B/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyYZRHDSTVCSSFGY-YIZRAAEISA-N
MW134.03 g/mol
LogP2.71
Rot. Bonds1

About [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane

[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane (PubChem CID 134979166) has the molecular formula C9H15B and a molecular weight of 134.03 g/mol. Its IUPAC name is [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane.

Molecular Properties

Compound Name[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane
PubChem CID134979166
Molecular FormulaC9H15B
Molecular Weight134.03 g/mol
Exact Mass134.13
IUPAC Name[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane
SMILESCB(C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H15B/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyYZRHDSTVCSSFGY-YIZRAAEISA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.03
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane
CID 100966944
5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 158918513
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
2-bicyclo[2.2.1]hept-5-enylphosphane
CID 89139519
2-bicyclo[2.2.1]hept-5-enylazanium
CID 134866757
(NZ)-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylidene]hydroxylamine
CID 5365542
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036
(1S,4S,5S)-5-dimethoxyphosphorylbicyclo[2.2.1]hept-2-ene
CID 23418938
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
tricyclo[4.2.1.03,8]non-4-ene
CID 15329735

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane?
The IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane (CID 134979166) is [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane.
What is the SMILES notation for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane?
The canonical SMILES for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane is CB(C)[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane?
The InChIKey is YZRHDSTVCSSFGY-YIZRAAEISA-N. The full InChI is InChI=1S/C9H15B/c1-10(2)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane?
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane has a molecular weight of 134.03 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane is sourced from PubChem (CID 134979166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).