4-ethenyl-1,3-dimethylimidazol-1-ium

C7H11N2+ — CID 125479929

IUPAC4-ethenyl-1,3-dimethylimidazol-1-ium
SMILESC=Cc1c[n+](C)cn1C
InChIInChI=1S/C7H11N2/c1-4-7-5-8(2)6-9(7)3/h4-6H,1H2,2-3H3/q+1
InChIKeyVJFOKYHRUPEDLM-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.49
Rot. Bonds1

About 4-ethenyl-1,3-dimethylimidazol-1-ium

4-ethenyl-1,3-dimethylimidazol-1-ium (PubChem CID 125479929) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is 4-ethenyl-1,3-dimethylimidazol-1-ium.

Molecular Properties

Compound Name4-ethenyl-1,3-dimethylimidazol-1-ium
PubChem CID125479929
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name4-ethenyl-1,3-dimethylimidazol-1-ium
SMILESC=Cc1c[n+](C)cn1C
InChIInChI=1S/C7H11N2/c1-4-7-5-8(2)6-9(7)3/h4-6H,1H2,2-3H3/q+1
InChIKeyVJFOKYHRUPEDLM-UHFFFAOYSA-N
XLogP0.49
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,3-dimethylimidazol-1-ium?
The IUPAC name of 4-ethenyl-1,3-dimethylimidazol-1-ium (CID 125479929) is 4-ethenyl-1,3-dimethylimidazol-1-ium.
What is the SMILES notation for 4-ethenyl-1,3-dimethylimidazol-1-ium?
The canonical SMILES for 4-ethenyl-1,3-dimethylimidazol-1-ium is C=Cc1c[n+](C)cn1C.
What is the InChIKey of 4-ethenyl-1,3-dimethylimidazol-1-ium?
The InChIKey is VJFOKYHRUPEDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2/c1-4-7-5-8(2)6-9(7)3/h4-6H,1H2,2-3H3/q+1.
What are the key properties of 4-ethenyl-1,3-dimethylimidazol-1-ium?
4-ethenyl-1,3-dimethylimidazol-1-ium has a molecular weight of 123.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-dimethylimidazol-1-ium is sourced from PubChem (CID 125479929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).