3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

C18H19NO — CID 11550718

IUPAC3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESCOc1ccc2cc(C3=CN4CCC3CC4)ccc2c1
InChIInChI=1S/C18H19NO/c1-20-17-5-4-14-10-16(3-2-15(14)11-17)18-12-19-8-6-13(18)7-9-19/h2-5,10-13H,6-9H2,1H3
InChIKeyKZWBNNXTWZPPPP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.91
Rot. Bonds2

About 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene

3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (PubChem CID 11550718) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
PubChem CID11550718
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
SMILESCOc1ccc2cc(C3=CN4CCC3CC4)ccc2c1
InChIInChI=1S/C18H19NO/c1-20-17-5-4-14-10-16(3-2-15(14)11-17)18-12-19-8-6-13(18)7-9-19/h2-5,10-13H,6-9H2,1H3
InChIKeyKZWBNNXTWZPPPP-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene (CID 11550718) is 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is COc1ccc2cc(C3=CN4CCC3CC4)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
The InChIKey is KZWBNNXTWZPPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-20-17-5-4-14-10-16(3-2-15(14)11-17)18-12-19-8-6-13(18)7-9-19/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene?
3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene has a molecular weight of 265.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 11550718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).