potassium 2-(1-cyanocyclohexyl)acetate

C9H12KNO2 — CID 23672403

IUPACpotassium 2-(1-cyanocyclohexyl)acetate
SMILESN#CC1(CC(=O)[O-])CCCCC1.[K+]
InChIInChI=1S/C9H13NO2.K/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-6H2,(H,11,12);/q;+1/p-1
InChIKeyAIPKMNGCAXYDJB-UHFFFAOYSA-M
MW205.30 g/mol
LogP-2.40
Rot. Bonds2

About potassium 2-(1-cyanocyclohexyl)acetate

potassium 2-(1-cyanocyclohexyl)acetate (PubChem CID 23672403) has the molecular formula C9H12KNO2 and a molecular weight of 205.30 g/mol. Its IUPAC name is potassium 2-(1-cyanocyclohexyl)acetate.

Molecular Properties

Compound Namepotassium 2-(1-cyanocyclohexyl)acetate
PubChem CID23672403
Molecular FormulaC9H12KNO2
Molecular Weight205.30 g/mol
Exact Mass205.05
IUPAC Namepotassium 2-(1-cyanocyclohexyl)acetate
SMILESN#CC1(CC(=O)[O-])CCCCC1.[K+]
InChIInChI=1S/C9H13NO2.K/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-6H2,(H,11,12);/q;+1/p-1
InChIKeyAIPKMNGCAXYDJB-UHFFFAOYSA-M
XLogP-2.40
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(1-cyanocyclohexyl)acetate?
The IUPAC name of potassium 2-(1-cyanocyclohexyl)acetate (CID 23672403) is potassium 2-(1-cyanocyclohexyl)acetate.
What is the SMILES notation for potassium 2-(1-cyanocyclohexyl)acetate?
The canonical SMILES for potassium 2-(1-cyanocyclohexyl)acetate is N#CC1(CC(=O)[O-])CCCCC1.[K+].
What is the InChIKey of potassium 2-(1-cyanocyclohexyl)acetate?
The InChIKey is AIPKMNGCAXYDJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO2.K/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-6H2,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-(1-cyanocyclohexyl)acetate?
potassium 2-(1-cyanocyclohexyl)acetate has a molecular weight of 205.30 g/mol, XLogP of -2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1-cyanocyclohexyl)acetate is sourced from PubChem (CID 23672403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).