1-cyanocyclopropane-1-carboxylic acid;hydrochloride

C5H6ClNO2 — CID 67848921

IUPAC1-cyanocyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.N#CC1(C(=O)O)CC1
InChIInChI=1S/C5H5NO2.ClH/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H,7,8);1H
InChIKeyMHLHBIQCAIGXHD-UHFFFAOYSA-N
MW147.56 g/mol
LogP0.80
Rot. Bonds1

About 1-cyanocyclopropane-1-carboxylic acid;hydrochloride

1-cyanocyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 67848921) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 1-cyanocyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyanocyclopropane-1-carboxylic acid;hydrochloride
PubChem CID67848921
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name1-cyanocyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.N#CC1(C(=O)O)CC1
InChIInChI=1S/C5H5NO2.ClH/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H,7,8);1H
InChIKeyMHLHBIQCAIGXHD-UHFFFAOYSA-N
XLogP0.80
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyanocyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyanocyclopropane-1-carboxylic acid;hydrochloride (CID 67848921) is 1-cyanocyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyanocyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyanocyclopropane-1-carboxylic acid;hydrochloride is Cl.N#CC1(C(=O)O)CC1.
What is the InChIKey of 1-cyanocyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is MHLHBIQCAIGXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.ClH/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H,7,8);1H.
What are the key properties of 1-cyanocyclopropane-1-carboxylic acid;hydrochloride?
1-cyanocyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 147.56 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanocyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67848921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).