2-(3aH-inden-2-yl)pyridine;ethane

C16H17N — CID 91435728

IUPAC2-(3aH-inden-2-yl)pyridine;ethane
SMILESC1=CC2=CC(c3ccccn3)=CC2C=C1.CC
InChIInChI=1S/C14H11N.C2H6/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-15-14;1-2/h1-11H;1-2H3
InChIKeyPDUBWHXUMAJGOU-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.17
Rot. Bonds1

About 2-(3aH-inden-2-yl)pyridine;ethane

2-(3aH-inden-2-yl)pyridine;ethane (PubChem CID 91435728) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3aH-inden-2-yl)pyridine;ethane.

Molecular Properties

Compound Name2-(3aH-inden-2-yl)pyridine;ethane
PubChem CID91435728
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(3aH-inden-2-yl)pyridine;ethane
SMILESC1=CC2=CC(c3ccccn3)=CC2C=C1.CC
InChIInChI=1S/C14H11N.C2H6/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-15-14;1-2/h1-11H;1-2H3
InChIKeyPDUBWHXUMAJGOU-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylsulfanylphenyl)-3aH-indene
CID 155004155
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-ethyl-3aH-indene
CID 23399067
2-(2-cyclopenta-2,4-dien-1-yl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridine
CID 139166901
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
carbanide;methanolate;platinum(4+);2-pyridin-2-ylpyridine;hydroxide
CID 25150763

Frequently Asked Questions

What is the IUPAC name of 2-(3aH-inden-2-yl)pyridine;ethane?
The IUPAC name of 2-(3aH-inden-2-yl)pyridine;ethane (CID 91435728) is 2-(3aH-inden-2-yl)pyridine;ethane.
What is the SMILES notation for 2-(3aH-inden-2-yl)pyridine;ethane?
The canonical SMILES for 2-(3aH-inden-2-yl)pyridine;ethane is C1=CC2=CC(c3ccccn3)=CC2C=C1.CC.
What is the InChIKey of 2-(3aH-inden-2-yl)pyridine;ethane?
The InChIKey is PDUBWHXUMAJGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.C2H6/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-15-14;1-2/h1-11H;1-2H3.
What are the key properties of 2-(3aH-inden-2-yl)pyridine;ethane?
2-(3aH-inden-2-yl)pyridine;ethane has a molecular weight of 223.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3aH-inden-2-yl)pyridine;ethane is sourced from PubChem (CID 91435728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).