6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium

C10H13N2+ — CID 170657333

IUPAC6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC(C)C1=C[N+]2=CC=NC2C=C1
InChIInChI=1S/C10H13N2/c1-8(2)9-3-4-10-11-5-6-12(10)7-9/h3-8,10H,1-2H3/q+1
InChIKeyXFIDGOLBPXETCN-UHFFFAOYSA-N
MW161.23 g/mol
LogP1.59
Rot. Bonds1

About 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium

6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium (PubChem CID 170657333) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium
PubChem CID170657333
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC(C)C1=C[N+]2=CC=NC2C=C1
InChIInChI=1S/C10H13N2/c1-8(2)9-3-4-10-11-5-6-12(10)7-9/h3-8,10H,1-2H3/q+1
InChIKeyXFIDGOLBPXETCN-UHFFFAOYSA-N
XLogP1.59
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 51.59
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-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium (CID 170657333) is 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium is CC(C)C1=C[N+]2=CC=NC2C=C1.
What is the InChIKey of 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is XFIDGOLBPXETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2/c1-8(2)9-3-4-10-11-5-6-12(10)7-9/h3-8,10H,1-2H3/q+1.
What are the key properties of 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium?
6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 161.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 170657333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).