2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride

C8H11ClN2O2 — CID 122236347

IUPAC2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.Cn1cncc1C1CC1C(=O)O
InChIInChI=1S/C8H10N2O2.ClH/c1-10-4-9-3-7(10)5-2-6(5)8(11)12;/h3-6H,2H2,1H3,(H,11,12);1H
InChIKeyUCLHECQMAKHGBA-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.03
Rot. Bonds2

About 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride

2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 122236347) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID122236347
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.Cn1cncc1C1CC1C(=O)O
InChIInChI=1S/C8H10N2O2.ClH/c1-10-4-9-3-7(10)5-2-6(5)8(11)12;/h3-6H,2H2,1H3,(H,11,12);1H
InChIKeyUCLHECQMAKHGBA-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride (CID 122236347) is 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.Cn1cncc1C1CC1C(=O)O.
What is the InChIKey of 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is UCLHECQMAKHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-10-4-9-3-7(10)5-2-6(5)8(11)12;/h3-6H,2H2,1H3,(H,11,12);1H.
What are the key properties of 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 122236347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).