1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]

C15H21N3 — CID 10421899

IUPAC1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
SMILESc1cncc(N2CCC3(CC4CCN3CC4)C2)c1
InChIInChI=1S/C15H21N3/c1-2-14(11-16-6-1)17-9-5-15(12-17)10-13-3-7-18(15)8-4-13/h1-2,6,11,13H,3-5,7-10,12H2
InChIKeyRHQJWLPJMQCJOF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.15
Rot. Bonds1

About 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]

1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] (PubChem CID 10421899) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine].

Molecular Properties

Compound Name1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
PubChem CID10421899
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
SMILESc1cncc(N2CCC3(CC4CCN3CC4)C2)c1
InChIInChI=1S/C15H21N3/c1-2-14(11-16-6-1)17-9-5-15(12-17)10-13-3-7-18(15)8-4-13/h1-2,6,11,13H,3-5,7-10,12H2
InChIKeyRHQJWLPJMQCJOF-UHFFFAOYSA-N
XLogP2.15
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The IUPAC name of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] (CID 10421899) is 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine].
What is the SMILES notation for 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The canonical SMILES for 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] is c1cncc(N2CCC3(CC4CCN3CC4)C2)c1.
What is the InChIKey of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The InChIKey is RHQJWLPJMQCJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-14(11-16-6-1)17-9-5-15(12-17)10-13-3-7-18(15)8-4-13/h1-2,6,11,13H,3-5,7-10,12H2.
What are the key properties of 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] has a molecular weight of 243.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] is sourced from PubChem (CID 10421899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).