(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole

C9H12N2 — CID 138600509

IUPAC(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(C)n/c1=C/C=C\C
InChIInChI=1S/C9H12N2/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H,2H2,1,3H3,(H,10,11)/b5-4-,9-6+
InChIKeyIZAYHDYJNQCHGM-KMOPYBJPSA-N
MW148.21 g/mol
LogP0.49
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole

(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole (PubChem CID 138600509) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
PubChem CID138600509
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(C)n/c1=C/C=C\C
InChIInChI=1S/C9H12N2/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H,2H2,1,3H3,(H,10,11)/b5-4-,9-6+
InChIKeyIZAYHDYJNQCHGM-KMOPYBJPSA-N
XLogP0.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole (CID 138600509) is (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole is C=c1[nH]c(C)n/c1=C/C=C\C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
The InChIKey is IZAYHDYJNQCHGM-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H,2H2,1,3H3,(H,10,11)/b5-4-,9-6+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole has a molecular weight of 148.21 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole is sourced from PubChem (CID 138600509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).