lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide

C8H12LiNO3 — CID 175765864

IUPAClithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
SMILESN#CC1CCCC(C(=O)O)C1.[Li+].[OH-]
InChIInChI=1S/C8H11NO2.Li.H2O/c9-5-6-2-1-3-7(4-6)8(10)11;;/h6-7H,1-4H2,(H,10,11);;1H2/q;+1;/p-1
InChIKeyAZKMGJKHBXXJMK-UHFFFAOYSA-M
MW177.13 g/mol
LogP-1.77
Rot. Bonds1

About lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide

lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide (PubChem CID 175765864) has the molecular formula C8H12LiNO3 and a molecular weight of 177.13 g/mol. Its IUPAC name is lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide.

Molecular Properties

Compound Namelithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
PubChem CID175765864
Molecular FormulaC8H12LiNO3
Molecular Weight177.13 g/mol
Exact Mass177.10
IUPAC Namelithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide
SMILESN#CC1CCCC(C(=O)O)C1.[Li+].[OH-]
InChIInChI=1S/C8H11NO2.Li.H2O/c9-5-6-2-1-3-7(4-6)8(10)11;;/h6-7H,1-4H2,(H,10,11);;1H2/q;+1;/p-1
InChIKeyAZKMGJKHBXXJMK-UHFFFAOYSA-M
XLogP-1.77
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide?
The IUPAC name of lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide (CID 175765864) is lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide.
What is the SMILES notation for lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide?
The canonical SMILES for lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide is N#CC1CCCC(C(=O)O)C1.[Li+].[OH-].
What is the InChIKey of lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide?
The InChIKey is AZKMGJKHBXXJMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO2.Li.H2O/c9-5-6-2-1-3-7(4-6)8(10)11;;/h6-7H,1-4H2,(H,10,11);;1H2/q;+1;/p-1.
What are the key properties of lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide?
lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide has a molecular weight of 177.13 g/mol, XLogP of -1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-cyanocyclohexane-1-carboxylic acid;hydroxide is sourced from PubChem (CID 175765864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).