5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid

C11H16N2O2 — CID 174665724

IUPAC5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid
SMILESC=CN1C=CN(CCC=C(C)C(=O)O)C1
InChIInChI=1S/C11H16N2O2/c1-3-12-7-8-13(9-12)6-4-5-10(2)11(14)15/h3,5,7-8H,1,4,6,9H2,2H3,(H,14,15)
InChIKeyYQFKSCDIXQPLJO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.60
Rot. Bonds5

About 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid

5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid (PubChem CID 174665724) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid
PubChem CID174665724
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid
SMILESC=CN1C=CN(CCC=C(C)C(=O)O)C1
InChIInChI=1S/C11H16N2O2/c1-3-12-7-8-13(9-12)6-4-5-10(2)11(14)15/h3,5,7-8H,1,4,6,9H2,2H3,(H,14,15)
InChIKeyYQFKSCDIXQPLJO-UHFFFAOYSA-N
XLogP1.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid?
The IUPAC name of 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid (CID 174665724) is 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid?
The canonical SMILES for 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid is C=CN1C=CN(CCC=C(C)C(=O)O)C1.
What is the InChIKey of 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid?
The InChIKey is YQFKSCDIXQPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-12-7-8-13(9-12)6-4-5-10(2)11(14)15/h3,5,7-8H,1,4,6,9H2,2H3,(H,14,15).
What are the key properties of 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid?
5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid is sourced from PubChem (CID 174665724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).