(4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole

C11H14N2 — CID 145094928

IUPAC(4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole
SMILESC=C/C=c1/ncn(C)/c1=C/C=C\C
InChIInChI=1S/C11H14N2/c1-4-6-8-11-10(7-5-2)12-9-13(11)3/h4-9H,2H2,1,3H3/b6-4-,10-7+,11-8+
InChIKeyXSSLPBJLAJQBGL-LNRCSPPCSA-N
MW174.25 g/mol
LogP0.74
Rot. Bonds2

About (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole

(4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole (PubChem CID 145094928) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole
PubChem CID145094928
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole
SMILESC=C/C=c1/ncn(C)/c1=C/C=C\C
InChIInChI=1S/C11H14N2/c1-4-6-8-11-10(7-5-2)12-9-13(11)3/h4-9H,2H2,1,3H3/b6-4-,10-7+,11-8+
InChIKeyXSSLPBJLAJQBGL-LNRCSPPCSA-N
XLogP0.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-5-(1-fluoroprop-2-enylidene)-4-methylideneimidazole
CID 124012782
2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
CID 134239602
(5E)-5-[(2E)-2-fluoropenta-2,4-dienylidene]-4H-imidazole-3-carbonitrile
CID 138535077
2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile
CID 138535224
(Phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)
CID 20752938
N,N-dimethyl-N'-(phenyliminomethyl)methanimidamide;tungsten(2+)
CID 21019641
1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883
(4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole
CID 89470467
1-methyl-7-methylidene-4H-1,3-diazepine
CID 90931837

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole?
The IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole (CID 145094928) is (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole.
What is the SMILES notation for (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole?
The canonical SMILES for (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole is C=C/C=c1/ncn(C)/c1=C/C=C\C.
What is the InChIKey of (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole?
The InChIKey is XSSLPBJLAJQBGL-LNRCSPPCSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-6-8-11-10(7-5-2)12-9-13(11)3/h4-9H,2H2,1,3H3/b6-4-,10-7+,11-8+.
What are the key properties of (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole?
(4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole has a molecular weight of 174.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole is sourced from PubChem (CID 145094928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).