bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride

C8H9ClO — CID 22035155

IUPACbicyclo[2.2.1]hept-2-ene-1-carbonyl chloride
SMILESO=C(Cl)C12C=CC(CC1)C2
InChIInChI=1S/C8H9ClO/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2
InChIKeyCAWIWUDQLJOOFM-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.11
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride

bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride (PubChem CID 22035155) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-1-carbonyl chloride
PubChem CID22035155
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Namebicyclo[2.2.1]hept-2-ene-1-carbonyl chloride
SMILESO=C(Cl)C12C=CC(CC1)C2
InChIInChI=1S/C8H9ClO/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2
InChIKeyCAWIWUDQLJOOFM-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride (CID 22035155) is bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride is O=C(Cl)C12C=CC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride?
The InChIKey is CAWIWUDQLJOOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2.
What are the key properties of bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride?
bicyclo[2.2.1]hept-2-ene-1-carbonyl chloride has a molecular weight of 156.61 g/mol, XLogP of 2.11, 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]hept-2-ene-1-carbonyl chloride is sourced from PubChem (CID 22035155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).