2-ethylimidazol-2-ylium

C5H7N2+ — CID 57090344

IUPAC2-ethylimidazol-2-ylium
SMILESCC[C+]1N=CC=N1
InChIInChI=1S/C5H7N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3/q+1
InChIKeyFUIPOUFRSAPJFR-UHFFFAOYSA-N
MW95.12 g/mol
LogP1.04
Rot. Bonds1

About 2-ethylimidazol-2-ylium

2-ethylimidazol-2-ylium (PubChem CID 57090344) has the molecular formula C5H7N2+ and a molecular weight of 95.12 g/mol. Its IUPAC name is 2-ethylimidazol-2-ylium.

Molecular Properties

Compound Name2-ethylimidazol-2-ylium
PubChem CID57090344
Molecular FormulaC5H7N2+
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Name2-ethylimidazol-2-ylium
SMILESCC[C+]1N=CC=N1
InChIInChI=1S/C5H7N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3/q+1
InChIKeyFUIPOUFRSAPJFR-UHFFFAOYSA-N
XLogP1.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylimidazol-2-ylium?
The IUPAC name of 2-ethylimidazol-2-ylium (CID 57090344) is 2-ethylimidazol-2-ylium.
What is the SMILES notation for 2-ethylimidazol-2-ylium?
The canonical SMILES for 2-ethylimidazol-2-ylium is CC[C+]1N=CC=N1.
What is the InChIKey of 2-ethylimidazol-2-ylium?
The InChIKey is FUIPOUFRSAPJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3/q+1.
What are the key properties of 2-ethylimidazol-2-ylium?
2-ethylimidazol-2-ylium has a molecular weight of 95.12 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimidazol-2-ylium is sourced from PubChem (CID 57090344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).