5-[(E)-but-2-en-2-yl]-1-ethylimidazole

C9H14N2 — CID 144852857

IUPAC5-[(E)-but-2-en-2-yl]-1-ethylimidazole
SMILESC/C=C(\C)c1cncn1CC
InChIInChI=1S/C9H14N2/c1-4-8(3)9-6-10-7-11(9)5-2/h4,6-7H,5H2,1-3H3/b8-4+
InChIKeyKMQFZEBSEXZUBT-XBXARRHUSA-N
MW150.22 g/mol
LogP2.33
Rot. Bonds2

About 5-[(E)-but-2-en-2-yl]-1-ethylimidazole

5-[(E)-but-2-en-2-yl]-1-ethylimidazole (PubChem CID 144852857) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-1-ethylimidazole.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-1-ethylimidazole
PubChem CID144852857
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-[(E)-but-2-en-2-yl]-1-ethylimidazole
SMILESC/C=C(\C)c1cncn1CC
InChIInChI=1S/C9H14N2/c1-4-8(3)9-6-10-7-11(9)5-2/h4,6-7H,5H2,1-3H3/b8-4+
InChIKeyKMQFZEBSEXZUBT-XBXARRHUSA-N
XLogP2.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(E)-but-2-en-2-yl]-1-ethylimidazole 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-[(E)-but-2-en-2-yl]-1-ethylimidazole?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-1-ethylimidazole (CID 144852857) is 5-[(E)-but-2-en-2-yl]-1-ethylimidazole.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-1-ethylimidazole?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-1-ethylimidazole is C/C=C(\C)c1cncn1CC.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-1-ethylimidazole?
The InChIKey is KMQFZEBSEXZUBT-XBXARRHUSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8(3)9-6-10-7-11(9)5-2/h4,6-7H,5H2,1-3H3/b8-4+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-1-ethylimidazole?
5-[(E)-but-2-en-2-yl]-1-ethylimidazole has a molecular weight of 150.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-1-ethylimidazole is sourced from PubChem (CID 144852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).