cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid

C8H11NO2 — CID 23423023

IUPACcis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid
SMILESN#C[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H11NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h6-7H,1-4H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyRTGNUEPVEHANTN-NKWVEPMBSA-N
MW153.18 g/mol
LogP1.40
Rot. Bonds1

About cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid

cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid (PubChem CID 23423023) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid
PubChem CID23423023
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namecis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid
SMILESN#C[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H11NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h6-7H,1-4H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyRTGNUEPVEHANTN-NKWVEPMBSA-N
XLogP1.40
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid 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 cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid (CID 23423023) is cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid is N#C[C@@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid?
The InChIKey is RTGNUEPVEHANTN-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H11NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h6-7H,1-4H2,(H,10,11)/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid?
cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-cyanocyclohexane-1-carboxylic acid is sourced from PubChem (CID 23423023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).