ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium

C10H15N2+ — CID 169152658

IUPACethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC.CC1=C[N+]2=CC=NC2C=C1
InChIInChI=1S/C8H9N2.C2H6/c1-7-2-3-8-9-4-5-10(8)6-7;1-2/h2-6,8H,1H3;1-2H3/q+1;
InChIKeyFTXJAEJWYZPNAN-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.98
Rot. Bonds

About ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium

ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium (PubChem CID 169152658) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Nameethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium
PubChem CID169152658
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Nameethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC.CC1=C[N+]2=CC=NC2C=C1
InChIInChI=1S/C8H9N2.C2H6/c1-7-2-3-8-9-4-5-10(8)6-7;1-2/h2-6,8H,1H3;1-2H3/q+1;
InChIKeyFTXJAEJWYZPNAN-UHFFFAOYSA-N
XLogP1.98
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.98
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 ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium (CID 169152658) is ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium is CC.CC1=C[N+]2=CC=NC2C=C1.
What is the InChIKey of ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is FTXJAEJWYZPNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2.C2H6/c1-7-2-3-8-9-4-5-10(8)6-7;1-2/h2-6,8H,1H3;1-2H3/q+1;.
What are the key properties of ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 163.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 169152658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).