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

C19H20N2O — CID 16727408

IUPAC(3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)cc1
InChIInChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1
InChIKeyGIRLVGYIIVFTLI-IBGZPJMESA-N
MW292.38 g/mol
LogP3.15
Rot. Bonds1

About (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

(3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 16727408) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name(3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID16727408
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)cc1
InChIInChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1
InChIKeyGIRLVGYIIVFTLI-IBGZPJMESA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 16727408) is (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is c1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)cc1.
What is the InChIKey of (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is GIRLVGYIIVFTLI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1.
What are the key properties of (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 292.38 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-phenylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 16727408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).