(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane

C11H18N2 — CID 143954268

IUPAC(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane
SMILESC=CC/C=c1/[nH]cn/c1=C/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-5-6-9-8(4-2)10-7-11-9;1-2/h3-4,6-7H,1,5H2,2H3,(H,10,11);1-2H3/b8-4+,9-6+;
InChIKeyKUNJTBPUPJYIOV-HQSPKJHHSA-N
MW178.28 g/mol
LogP1.59
Rot. Bonds2

About (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane

(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane (PubChem CID 143954268) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane.

Molecular Properties

Compound Name(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane
PubChem CID143954268
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane
SMILESC=CC/C=c1/[nH]cn/c1=C/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-3-5-6-9-8(4-2)10-7-11-9;1-2/h3-4,6-7H,1,5H2,2H3,(H,10,11);1-2H3/b8-4+,9-6+;
InChIKeyKUNJTBPUPJYIOV-HQSPKJHHSA-N
XLogP1.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E,5E)-4-(2-fluoroethylidene)-5-(2-fluoropropylidene)-1H-imidazole
CID 144356998
(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1H-imidazole
CID 144415068
5,6-dihydro-1H-benzimidazole
CID 68269788
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
5,5-dimethyl-1H-cyclohepta[d]imidazole
CID 123139076
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane?
The IUPAC name of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane (CID 143954268) is (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane.
What is the SMILES notation for (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane?
The canonical SMILES for (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane is C=CC/C=c1/[nH]cn/c1=C/C.CC.
What is the InChIKey of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane?
The InChIKey is KUNJTBPUPJYIOV-HQSPKJHHSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-3-5-6-9-8(4-2)10-7-11-9;1-2/h3-4,6-7H,1,5H2,2H3,(H,10,11);1-2H3/b8-4+,9-6+;.
What are the key properties of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane?
(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane has a molecular weight of 178.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole;ethane is sourced from PubChem (CID 143954268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).