(5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane

C11H18N2 — CID 155711371

IUPAC(5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane
SMILESC=C/C(C)=c1\c(=C)ncn1C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-5-7(2)9-8(3)10-6-11(9)4;1-2/h5-6H,1,3H2,2,4H3;1-2H3/b9-7+;
InChIKeyBRFBLHQYGKNJIE-BXTVWIJMSA-N
MW178.28 g/mol
LogP1.21
Rot. Bonds1

About (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane

(5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane (PubChem CID 155711371) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane.

Molecular Properties

Compound Name(5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane
PubChem CID155711371
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane
SMILESC=C/C(C)=c1\c(=C)ncn1C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-5-7(2)9-8(3)10-6-11(9)4;1-2/h5-6H,1,3H2,2,4H3;1-2H3/b9-7+;
InChIKeyBRFBLHQYGKNJIE-BXTVWIJMSA-N
XLogP1.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole
CID 131965942
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazole
CID 141977984

Frequently Asked Questions

What is the IUPAC name of (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane?
The IUPAC name of (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane (CID 155711371) is (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane.
What is the SMILES notation for (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane?
The canonical SMILES for (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane is C=C/C(C)=c1\c(=C)ncn1C.CC.
What is the InChIKey of (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane?
The InChIKey is BRFBLHQYGKNJIE-BXTVWIJMSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-5-7(2)9-8(3)10-6-11(9)4;1-2/h5-6H,1,3H2,2,4H3;1-2H3/b9-7+;.
What are the key properties of (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane?
(5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane has a molecular weight of 178.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane is sourced from PubChem (CID 155711371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).