2-propylimidazol-2-ylium

C6H9N2+ — CID 57192206

IUPAC2-propylimidazol-2-ylium
SMILESCCC[C+]1N=CC=N1
InChIInChI=1S/C6H9N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3/q+1
InChIKeyMJBFSLJVIKXFGZ-UHFFFAOYSA-N
MW109.15 g/mol
LogP1.43
Rot. Bonds2

About 2-propylimidazol-2-ylium

2-propylimidazol-2-ylium (PubChem CID 57192206) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is 2-propylimidazol-2-ylium.

Molecular Properties

Compound Name2-propylimidazol-2-ylium
PubChem CID57192206
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name2-propylimidazol-2-ylium
SMILESCCC[C+]1N=CC=N1
InChIInChI=1S/C6H9N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3/q+1
InChIKeyMJBFSLJVIKXFGZ-UHFFFAOYSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 51.43
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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Related Compounds

1-Butanamine, N-ethylidene-
CID 544735
N,Na(2)-1,2-Ethanediylidenebis[1-butanamine]
CID 11953759
2-methyl-2H-imidazole
CID 15300567
Dimethyl 2h imidazole
CID 22173766
2-Ethyl-2-methylimidazole
CID 22245395
2-Butylimidazol-2-ylium
CID 57047188
2-Ethylimidazol-2-ylium
CID 57090344
2-Pentylimidazol-2-ylium
CID 57215941
InChI=1/C6H10N2/c1-5-4-7-6(2,3)8-5/h4H,1-3H
CID 5325309
(E)-N-[1-[(E)-ethylideneamino]ethyl]ethanimine
CID 10986183
2-butyl-2H-imidazole
CID 15458428
2-ethyl-2H-imidazole
CID 20732064

Frequently Asked Questions

What is the IUPAC name of 2-propylimidazol-2-ylium?
The IUPAC name of 2-propylimidazol-2-ylium (CID 57192206) is 2-propylimidazol-2-ylium.
What is the SMILES notation for 2-propylimidazol-2-ylium?
The canonical SMILES for 2-propylimidazol-2-ylium is CCC[C+]1N=CC=N1.
What is the InChIKey of 2-propylimidazol-2-ylium?
The InChIKey is MJBFSLJVIKXFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3/q+1.
What are the key properties of 2-propylimidazol-2-ylium?
2-propylimidazol-2-ylium has a molecular weight of 109.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylimidazol-2-ylium is sourced from PubChem (CID 57192206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).