2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride

C7H9ClN2O2 — CID 71755947

IUPAC2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)5-3-8-6(9-5)4-1-2-4;/h3-4H,1-2H2,(H,8,9)(H,10,11);1H
InChIKeyOQCWJJSTVWOOCW-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.41
Rot. Bonds2

About 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride

2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride (PubChem CID 71755947) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride
PubChem CID71755947
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)5-3-8-6(9-5)4-1-2-4;/h3-4H,1-2H2,(H,8,9)(H,10,11);1H
InChIKeyOQCWJJSTVWOOCW-UHFFFAOYSA-N
XLogP1.41
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride (CID 71755947) is 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride?
The InChIKey is OQCWJJSTVWOOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c10-7(11)5-3-8-6(9-5)4-1-2-4;/h3-4H,1-2H2,(H,8,9)(H,10,11);1H.
What are the key properties of 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride?
2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1H-imidazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 71755947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).