1-cyclobutylimidazole-2-carboxylic acid

C8H10N2O2 — CID 83873455

IUPAC1-cyclobutylimidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CCC1
InChIInChI=1S/C8H10N2O2/c11-8(12)7-9-4-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12)
InChIKeyNZCLFPVXVQMPNV-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.31
Rot. Bonds2

About 1-cyclobutylimidazole-2-carboxylic acid

1-cyclobutylimidazole-2-carboxylic acid (PubChem CID 83873455) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-cyclobutylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutylimidazole-2-carboxylic acid
PubChem CID83873455
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-cyclobutylimidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CCC1
InChIInChI=1S/C8H10N2O2/c11-8(12)7-9-4-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12)
InChIKeyNZCLFPVXVQMPNV-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylimidazole-2-carboxylic acid?
The IUPAC name of 1-cyclobutylimidazole-2-carboxylic acid (CID 83873455) is 1-cyclobutylimidazole-2-carboxylic acid.
What is the SMILES notation for 1-cyclobutylimidazole-2-carboxylic acid?
The canonical SMILES for 1-cyclobutylimidazole-2-carboxylic acid is O=C(O)c1nccn1C1CCC1.
What is the InChIKey of 1-cyclobutylimidazole-2-carboxylic acid?
The InChIKey is NZCLFPVXVQMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)7-9-4-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12).
What are the key properties of 1-cyclobutylimidazole-2-carboxylic acid?
1-cyclobutylimidazole-2-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylimidazole-2-carboxylic acid is sourced from PubChem (CID 83873455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).