2-cyanocyclopropane-1-carboxylic acid;dihydrochloride

C5H7Cl2NO2 — CID 158639721

IUPAC2-cyanocyclopropane-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.N#CC1CC1C(=O)O
InChIInChI=1S/C5H5NO2.2ClH/c6-2-3-1-4(3)5(7)8;;/h3-4H,1H2,(H,7,8);2*1H
InChIKeyIAFNNLARYJZVMN-UHFFFAOYSA-N
MW184.02 g/mol
LogP1.07
Rot. Bonds1

About 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride

2-cyanocyclopropane-1-carboxylic acid;dihydrochloride (PubChem CID 158639721) has the molecular formula C5H7Cl2NO2 and a molecular weight of 184.02 g/mol. Its IUPAC name is 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2-cyanocyclopropane-1-carboxylic acid;dihydrochloride
PubChem CID158639721
Molecular FormulaC5H7Cl2NO2
Molecular Weight184.02 g/mol
Exact Mass182.99
IUPAC Name2-cyanocyclopropane-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.N#CC1CC1C(=O)O
InChIInChI=1S/C5H5NO2.2ClH/c6-2-3-1-4(3)5(7)8;;/h3-4H,1H2,(H,7,8);2*1H
InChIKeyIAFNNLARYJZVMN-UHFFFAOYSA-N
XLogP1.07
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride?
The IUPAC name of 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride (CID 158639721) is 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride.
What is the SMILES notation for 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride?
The canonical SMILES for 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride is Cl.Cl.N#CC1CC1C(=O)O.
What is the InChIKey of 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride?
The InChIKey is IAFNNLARYJZVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.2ClH/c6-2-3-1-4(3)5(7)8;;/h3-4H,1H2,(H,7,8);2*1H.
What are the key properties of 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride?
2-cyanocyclopropane-1-carboxylic acid;dihydrochloride has a molecular weight of 184.02 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanocyclopropane-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 158639721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).