bicyclo[2.2.1]heptane-1-carbonyl bromide

C8H11BrO — CID 21489193

IUPACbicyclo[2.2.1]heptane-1-carbonyl bromide
SMILESO=C(Br)C12CCC(CC1)C2
InChIInChI=1S/C8H11BrO/c9-7(10)8-3-1-6(5-8)2-4-8/h6H,1-5H2
InChIKeyPECITVHYKWVBNN-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.49
Rot. Bonds1

About bicyclo[2.2.1]heptane-1-carbonyl bromide

bicyclo[2.2.1]heptane-1-carbonyl bromide (PubChem CID 21489193) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-1-carbonyl bromide.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-1-carbonyl bromide
PubChem CID21489193
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Namebicyclo[2.2.1]heptane-1-carbonyl bromide
SMILESO=C(Br)C12CCC(CC1)C2
InChIInChI=1S/C8H11BrO/c9-7(10)8-3-1-6(5-8)2-4-8/h6H,1-5H2
InChIKeyPECITVHYKWVBNN-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-1-carbonyl bromide?
The IUPAC name of bicyclo[2.2.1]heptane-1-carbonyl bromide (CID 21489193) is bicyclo[2.2.1]heptane-1-carbonyl bromide.
What is the SMILES notation for bicyclo[2.2.1]heptane-1-carbonyl bromide?
The canonical SMILES for bicyclo[2.2.1]heptane-1-carbonyl bromide is O=C(Br)C12CCC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]heptane-1-carbonyl bromide?
The InChIKey is PECITVHYKWVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c9-7(10)8-3-1-6(5-8)2-4-8/h6H,1-5H2.
What are the key properties of bicyclo[2.2.1]heptane-1-carbonyl bromide?
bicyclo[2.2.1]heptane-1-carbonyl bromide has a molecular weight of 203.08 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-1-carbonyl bromide is sourced from PubChem (CID 21489193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).