1-ethyl-1-methylimidazol-1-ium bromide

C6H11BrN2 — CID 18377228

IUPAC1-ethyl-1-methylimidazol-1-ium bromide
SMILESCC[N+]1(C)C=CN=C1.[Br-]
InChIInChI=1S/C6H11N2.BrH/c1-3-8(2)5-4-7-6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyZQSFMLCPLONOGC-UHFFFAOYSA-M
MW191.07 g/mol
LogP-2.03
Rot. Bonds1

About 1-ethyl-1-methylimidazol-1-ium bromide

1-ethyl-1-methylimidazol-1-ium bromide (PubChem CID 18377228) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 1-ethyl-1-methylimidazol-1-ium bromide.

Molecular Properties

Compound Name1-ethyl-1-methylimidazol-1-ium bromide
PubChem CID18377228
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name1-ethyl-1-methylimidazol-1-ium bromide
SMILESCC[N+]1(C)C=CN=C1.[Br-]
InChIInChI=1S/C6H11N2.BrH/c1-3-8(2)5-4-7-6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyZQSFMLCPLONOGC-UHFFFAOYSA-M
XLogP-2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylimidazol-1-ium bromide?
The IUPAC name of 1-ethyl-1-methylimidazol-1-ium bromide (CID 18377228) is 1-ethyl-1-methylimidazol-1-ium bromide.
What is the SMILES notation for 1-ethyl-1-methylimidazol-1-ium bromide?
The canonical SMILES for 1-ethyl-1-methylimidazol-1-ium bromide is CC[N+]1(C)C=CN=C1.[Br-].
What is the InChIKey of 1-ethyl-1-methylimidazol-1-ium bromide?
The InChIKey is ZQSFMLCPLONOGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N2.BrH/c1-3-8(2)5-4-7-6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-1-methylimidazol-1-ium bromide?
1-ethyl-1-methylimidazol-1-ium bromide has a molecular weight of 191.07 g/mol, XLogP of -2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylimidazol-1-ium bromide is sourced from PubChem (CID 18377228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).