4-cyanocyclohexane-1-carboxylic acid;hydrochloride

C8H12ClNO2 — CID 70378009

IUPAC4-cyanocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.N#CC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H11NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h6-7H,1-4H2,(H,10,11);1H
InChIKeyWLKXEEWANQRQCF-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.82
Rot. Bonds1

About 4-cyanocyclohexane-1-carboxylic acid;hydrochloride

4-cyanocyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 70378009) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 4-cyanocyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-cyanocyclohexane-1-carboxylic acid;hydrochloride
PubChem CID70378009
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name4-cyanocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.N#CC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H11NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h6-7H,1-4H2,(H,10,11);1H
InChIKeyWLKXEEWANQRQCF-UHFFFAOYSA-N
XLogP1.82
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyanocyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-cyanocyclohexane-1-carboxylic acid;hydrochloride (CID 70378009) is 4-cyanocyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-cyanocyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-cyanocyclohexane-1-carboxylic acid;hydrochloride is Cl.N#CC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-cyanocyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is WLKXEEWANQRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h6-7H,1-4H2,(H,10,11);1H.
What are the key properties of 4-cyanocyclohexane-1-carboxylic acid;hydrochloride?
4-cyanocyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 189.64 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanocyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70378009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).