cyclohexanecarbonitrile;hydrochloride

C7H12ClN — CID 141135021

IUPACcyclohexanecarbonitrile;hydrochloride
SMILESCl.N#CC1CCCCC1
InChIInChI=1S/C7H11N.ClH/c8-6-7-4-2-1-3-5-7;/h7H,1-5H2;1H
InChIKeyQITFKXQAMCRLAE-UHFFFAOYSA-N
MW145.63 g/mol
LogP2.51
Rot. Bonds

About cyclohexanecarbonitrile;hydrochloride

cyclohexanecarbonitrile;hydrochloride (PubChem CID 141135021) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is cyclohexanecarbonitrile;hydrochloride.

Molecular Properties

Compound Namecyclohexanecarbonitrile;hydrochloride
PubChem CID141135021
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Namecyclohexanecarbonitrile;hydrochloride
SMILESCl.N#CC1CCCCC1
InChIInChI=1S/C7H11N.ClH/c8-6-7-4-2-1-3-5-7;/h7H,1-5H2;1H
InChIKeyQITFKXQAMCRLAE-UHFFFAOYSA-N
XLogP2.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbonitrile;hydrochloride?
The IUPAC name of cyclohexanecarbonitrile;hydrochloride (CID 141135021) is cyclohexanecarbonitrile;hydrochloride.
What is the SMILES notation for cyclohexanecarbonitrile;hydrochloride?
The canonical SMILES for cyclohexanecarbonitrile;hydrochloride is Cl.N#CC1CCCCC1.
What is the InChIKey of cyclohexanecarbonitrile;hydrochloride?
The InChIKey is QITFKXQAMCRLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.ClH/c8-6-7-4-2-1-3-5-7;/h7H,1-5H2;1H.
What are the key properties of cyclohexanecarbonitrile;hydrochloride?
cyclohexanecarbonitrile;hydrochloride has a molecular weight of 145.63 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonitrile;hydrochloride is sourced from PubChem (CID 141135021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).