2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine

C15H15N3 — CID 139990908

IUPAC2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine
SMILESc1cnc2nc(C3=C4CCN(CC4)C3)ccc2c1
InChIInChI=1S/C15H15N3/c1-2-12-3-4-14(17-15(12)16-7-1)13-10-18-8-5-11(13)6-9-18/h1-4,7H,5-6,8-10H2
InChIKeyWUPOIYIJGAWYTK-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.49
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine

2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine (PubChem CID 139990908) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine
PubChem CID139990908
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine
SMILESc1cnc2nc(C3=C4CCN(CC4)C3)ccc2c1
InChIInChI=1S/C15H15N3/c1-2-12-3-4-14(17-15(12)16-7-1)13-10-18-8-5-11(13)6-9-18/h1-4,7H,5-6,8-10H2
InChIKeyWUPOIYIJGAWYTK-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine?
The IUPAC name of 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine (CID 139990908) is 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine is c1cnc2nc(C3=C4CCN(CC4)C3)ccc2c1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine?
The InChIKey is WUPOIYIJGAWYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-12-3-4-14(17-15(12)16-7-1)13-10-18-8-5-11(13)6-9-18/h1-4,7H,5-6,8-10H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine?
2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine has a molecular weight of 237.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]oct-3-en-3-yl)-1,8-naphthyridine is sourced from PubChem (CID 139990908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).