(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole

C11H16N2 — CID 166881963

IUPAC(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole
SMILESC=c1ncn(C(C)C)/c1=C/C=C\C
InChIInChI=1S/C11H16N2/c1-5-6-7-11-10(4)12-8-13(11)9(2)3/h5-9H,4H2,1-3H3/b6-5-,11-7+
InChIKeyOQDZVBQWZOYTDP-GNLLZQBYSA-N
MW176.26 g/mol
LogP1.23
Rot. Bonds2

About (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole

(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole (PubChem CID 166881963) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole
PubChem CID166881963
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole
SMILESC=c1ncn(C(C)C)/c1=C/C=C\C
InChIInChI=1S/C11H16N2/c1-5-6-7-11-10(4)12-8-13(11)9(2)3/h5-9H,4H2,1-3H3/b6-5-,11-7+
InChIKeyOQDZVBQWZOYTDP-GNLLZQBYSA-N
XLogP1.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole (CID 166881963) is (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole is C=c1ncn(C(C)C)/c1=C/C=C\C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole?
The InChIKey is OQDZVBQWZOYTDP-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-6-7-11-10(4)12-8-13(11)9(2)3/h5-9H,4H2,1-3H3/b6-5-,11-7+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole?
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole has a molecular weight of 176.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole is sourced from PubChem (CID 166881963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).