(4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane

C13H22N2 — CID 143526405

IUPAC(4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane
SMILESC/C=C\C=c1\[nH]c(C)n\c1=C\CC.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-6-8-11-10(7-5-2)12-9(3)13-11;1-2/h4,6-8H,5H2,1-3H3,(H,12,13);1-2H3/b6-4-,10-7+,11-8+;
InChIKeyPDKQUXQLQFPMSV-LFCJICSYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds2

About (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane

(4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane (PubChem CID 143526405) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane
PubChem CID143526405
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane
SMILESC/C=C\C=c1\[nH]c(C)n\c1=C\CC.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-6-8-11-10(7-5-2)12-9(3)13-11;1-2/h4,6-8H,5H2,1-3H3,(H,12,13);1-2H3/b6-4-,10-7+,11-8+;
InChIKeyPDKQUXQLQFPMSV-LFCJICSYSA-N
XLogP2.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane?
The IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane (CID 143526405) is (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane.
What is the SMILES notation for (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane?
The canonical SMILES for (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane is C/C=C\C=c1\[nH]c(C)n\c1=C\CC.CC.
What is the InChIKey of (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane?
The InChIKey is PDKQUXQLQFPMSV-LFCJICSYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-4-6-8-11-10(7-5-2)12-9(3)13-11;1-2/h4,6-8H,5H2,1-3H3,(H,12,13);1-2H3/b6-4-,10-7+,11-8+;.
What are the key properties of (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane?
(4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane has a molecular weight of 206.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane is sourced from PubChem (CID 143526405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).