6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium

C9H13N2+ — CID 58925097

IUPAC6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium
SMILESCCC1C=CC2=NCC=[N+]2C1
InChIInChI=1S/C9H13N2/c1-2-8-3-4-9-10-5-6-11(9)7-8/h3-4,6,8H,2,5,7H2,1H3/q+1
InChIKeyIHBZRLJRWYXVCI-UHFFFAOYSA-N
MW149.22 g/mol
LogP1.08
Rot. Bonds1

About 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium

6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 58925097) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium
PubChem CID58925097
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium
SMILESCCC1C=CC2=NCC=[N+]2C1
InChIInChI=1S/C9H13N2/c1-2-8-3-4-9-10-5-6-11(9)7-8/h3-4,6,8H,2,5,7H2,1H3/q+1
InChIKeyIHBZRLJRWYXVCI-UHFFFAOYSA-N
XLogP1.08
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 51.08
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 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium (CID 58925097) is 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium is CCC1C=CC2=NCC=[N+]2C1.
What is the InChIKey of 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is IHBZRLJRWYXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2/c1-2-8-3-4-9-10-5-6-11(9)7-8/h3-4,6,8H,2,5,7H2,1H3/q+1.
What are the key properties of 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 149.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 58925097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).