3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide

C9H14N2 — CID 59339963

IUPAC3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide
SMILESC=C[n+]1[c-]c(C)n(CC)c1C
InChIInChI=1S/C9H14N2/c1-5-10-7-8(3)11(6-2)9(10)4/h5H,1,6H2,2-4H3
InChIKeyFZCPQUKBRWUWMB-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.31
Rot. Bonds2

About 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide

3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide (PubChem CID 59339963) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide.

Molecular Properties

Compound Name3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide
PubChem CID59339963
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide
SMILESC=C[n+]1[c-]c(C)n(CC)c1C
InChIInChI=1S/C9H14N2/c1-5-10-7-8(3)11(6-2)9(10)4/h5H,1,6H2,2-4H3
InChIKeyFZCPQUKBRWUWMB-UHFFFAOYSA-N
XLogP1.31
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-1,2-dimethylimidazolium bromide
CID 139210624
1,1,2,4,5-Pentamethylimidazol-1-ium
CID 17775515
2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium
CID 58719482
3-but-2-en-2-yl-2-methyl-4H-imidazol-4-ide;yttrium
CID 58883619
3-ethenyl-2,5-dimethyl-4H-imidazol-4-ide;rubidium(1+)
CID 59339956
3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide;rubidium(1+)
CID 59339962
1,1,2,5-Tetramethylimidazol-1-ium
CID 67204801
1,1,2,4-Tetramethylimidazol-1-ium
CID 67205164
1-Ethyl-1,2-dimethylimidazol-1-ium
CID 67388276
1-Butyl-1,2-dimethylimidazol-1-ium
CID 68720630
1-Ethyl-1,2-dimethylimidazol-1-ium chloride
CID 85878855
N'-ethenyl-N-ethyl-N-methylethanimidamide
CID 88586488

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide?
The IUPAC name of 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide (CID 59339963) is 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide.
What is the SMILES notation for 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide?
The canonical SMILES for 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide is C=C[n+]1[c-]c(C)n(CC)c1C.
What is the InChIKey of 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide?
The InChIKey is FZCPQUKBRWUWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-10-7-8(3)11(6-2)9(10)4/h5H,1,6H2,2-4H3.
What are the key properties of 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide?
3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide has a molecular weight of 150.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide is sourced from PubChem (CID 59339963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).