methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate

C11H16N2O2 — CID 172593208

IUPACmethyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate
SMILESCCn1cnc(C2CCC2)c1C(=O)OC
InChIInChI=1S/C11H16N2O2/c1-3-13-7-12-9(8-5-4-6-8)10(13)11(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyUFIQAAFSKYKNIW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds3

About methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate

methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate (PubChem CID 172593208) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate
PubChem CID172593208
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate
SMILESCCn1cnc(C2CCC2)c1C(=O)OC
InChIInChI=1S/C11H16N2O2/c1-3-13-7-12-9(8-5-4-6-8)10(13)11(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyUFIQAAFSKYKNIW-UHFFFAOYSA-N
XLogP1.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate (CID 172593208) is methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate is CCn1cnc(C2CCC2)c1C(=O)OC.
What is the InChIKey of methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate?
The InChIKey is UFIQAAFSKYKNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-13-7-12-9(8-5-4-6-8)10(13)11(14)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate?
methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate is sourced from PubChem (CID 172593208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).