(Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid

C11H16N2O3 — CID 80579238

IUPAC(Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid
SMILESCC/C(=C/Cn1ccn(CC)c1=O)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-9(10(14)15)5-6-13-8-7-12(4-2)11(13)16/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)/b9-5-
InChIKeySMYYBERISIEYIN-UITAMQMPSA-N
MW224.26 g/mol
LogP1.09
Rot. Bonds5

About (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid

(Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid (PubChem CID 80579238) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid
PubChem CID80579238
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid
SMILESCC/C(=C/Cn1ccn(CC)c1=O)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-9(10(14)15)5-6-13-8-7-12(4-2)11(13)16/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)/b9-5-
InChIKeySMYYBERISIEYIN-UITAMQMPSA-N
XLogP1.09
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid
CID 174665724
2-Ethyl-4-(2-oxopyrimidin-1-yl)but-2-enoic acid
CID 77101489
2-Ethyl-4-(3-methyl-2-oxoimidazolidin-1-yl)but-2-enoic acid
CID 77101732
2-Ethyl-4-(3-methyl-2,6-dioxopyrimidin-1-yl)but-2-enoic acid
CID 79023592
2-Ethyl-4-(3-ethyl-2,6-dioxopyrimidin-1-yl)but-2-enoic acid
CID 79023597
4-(2,6-Dioxo-3-propylpyrimidin-1-yl)-2-ethylbut-2-enoic acid
CID 79023602
(Z)-2-ethyl-4-(3-methyl-2-oxoimidazol-1-yl)but-2-enoic acid
CID 80579245
(Z)-2-ethyl-4-(2-oxo-3-propylimidazol-1-yl)but-2-enoic acid
CID 80579252
methyl (Z)-2-ethyl-4-(2-oxo-3-propylimidazol-1-yl)but-2-enoate
CID 80579253
methyl (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoate
CID 80579280
methyl (Z)-2-ethyl-4-(3-methyl-2-oxoimidazol-1-yl)but-2-enoate
CID 80579289
(E)-3-methyl-4-(2-oxo-3-propylimidazol-1-yl)but-2-enoic acid
CID 80579384

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid (CID 80579238) is (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid is CC/C(=C/Cn1ccn(CC)c1=O)C(=O)O.
What is the InChIKey of (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid?
The InChIKey is SMYYBERISIEYIN-UITAMQMPSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-9(10(14)15)5-6-13-8-7-12(4-2)11(13)16/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)/b9-5-.
What are the key properties of (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid?
(Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-(3-ethyl-2-oxoimidazol-1-yl)but-2-enoic acid is sourced from PubChem (CID 80579238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).