bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride

C8H11ClO2 — CID 66696484

IUPACbicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12C=CC(CC1)C2
InChIInChI=1S/C8H10O2.ClH/c9-7(10)8-3-1-6(5-8)2-4-8;/h1,3,6H,2,4-5H2,(H,9,10);1H
InChIKeyLCIIPMBJVYNBCV-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.85
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride

bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride (PubChem CID 66696484) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride
PubChem CID66696484
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Namebicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12C=CC(CC1)C2
InChIInChI=1S/C8H10O2.ClH/c9-7(10)8-3-1-6(5-8)2-4-8;/h1,3,6H,2,4-5H2,(H,9,10);1H
InChIKeyLCIIPMBJVYNBCV-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride (CID 66696484) is bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride is Cl.O=C(O)C12C=CC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride?
The InChIKey is LCIIPMBJVYNBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.ClH/c9-7(10)8-3-1-6(5-8)2-4-8;/h1,3,6H,2,4-5H2,(H,9,10);1H.
What are the key properties of bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride?
bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 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-carboxylic acid;hydrochloride is sourced from PubChem (CID 66696484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).