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5'-(2-Furyl)spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]

HCID 15908240
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1coc(-c2cnc3c(c2)CC2(CN4CCC2CC4)O3)c1
InChIKey
SFXUCWSKMBXLML-UHFFFAOYSA-N
Molecular formula
C17H18N2O2
Average molar mass
282.34 g/mol

Names & identifiers

Preferred name
5'-(2-Furyl)spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]
IUPAC
5'-(furan-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

Names & synonyms

SCHEMBL4210025SFXUCWSKMBXLML-UHFFFAOYSA-N5'-(2-Furyl)spiro[1-azabicyclo[2.2.2]octane-3,2'(3 'H)-furo[2,3-b]pyridine]5'-(2-Furyl)spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]

Database identifiers

PubChem CID
15908240

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
38.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Formal charge
0
Complexity
410

Related reactions

6 records
New reaction record
HRID 48519 reaction equation
HRID 48519As productuspto-grants-2004_03
HRID 49617 reaction equation
HRID 49617As productuspto-grants-2004_03
HRID 841077 reaction equation
HRID 841077As productuspto-grants-2002_04
HRID 1554340 reaction equation
HRID 1554340As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1786271 reaction equation
HRID 1786271As productuspto-grants-2009_03
HRID 1872536 reaction equation
HRID 1872536As productuspto-grants-2000_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes