3-cyclopropylimidazole-4-carboxylic acid

C7H8N2O2 — CID 66162091

IUPAC3-cyclopropylimidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1C1CC1
InChIInChI=1S/C7H8N2O2/c10-7(11)6-3-8-4-9(6)5-1-2-5/h3-5H,1-2H2,(H,10,11)
InChIKeyDYSGRHCXXAJAQR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.92
Rot. Bonds2

About 3-cyclopropylimidazole-4-carboxylic acid

3-cyclopropylimidazole-4-carboxylic acid (PubChem CID 66162091) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-cyclopropylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropylimidazole-4-carboxylic acid
PubChem CID66162091
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-cyclopropylimidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1C1CC1
InChIInChI=1S/C7H8N2O2/c10-7(11)6-3-8-4-9(6)5-1-2-5/h3-5H,1-2H2,(H,10,11)
InChIKeyDYSGRHCXXAJAQR-UHFFFAOYSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylimidazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropylimidazole-4-carboxylic acid (CID 66162091) is 3-cyclopropylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropylimidazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropylimidazole-4-carboxylic acid is O=C(O)c1cncn1C1CC1.
What is the InChIKey of 3-cyclopropylimidazole-4-carboxylic acid?
The InChIKey is DYSGRHCXXAJAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)6-3-8-4-9(6)5-1-2-5/h3-5H,1-2H2,(H,10,11).
What are the key properties of 3-cyclopropylimidazole-4-carboxylic acid?
3-cyclopropylimidazole-4-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimidazole-4-carboxylic acid is sourced from PubChem (CID 66162091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).