3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene

C18H19NO2 — CID 11999316

IUPAC3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene
SMILESCOc1ccc2cc(OC3CC4C=CC(C3)N4)ccc2c1
InChIInChI=1S/C18H19NO2/c1-20-16-6-2-13-9-17(7-3-12(13)8-16)21-18-10-14-4-5-15(11-18)19-14/h2-9,14-15,18-19H,10-11H2,1H3
InChIKeyLQZLYROOMOJIOJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.29
Rot. Bonds3

About 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene

3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene (PubChem CID 11999316) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene
PubChem CID11999316
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene
SMILESCOc1ccc2cc(OC3CC4C=CC(C3)N4)ccc2c1
InChIInChI=1S/C18H19NO2/c1-20-16-6-2-13-9-17(7-3-12(13)8-16)21-18-10-14-4-5-15(11-18)19-14/h2-9,14-15,18-19H,10-11H2,1H3
InChIKeyLQZLYROOMOJIOJ-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene (CID 11999316) is 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene is COc1ccc2cc(OC3CC4C=CC(C3)N4)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene?
The InChIKey is LQZLYROOMOJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-16-6-2-13-9-17(7-3-12(13)8-16)21-18-10-14-4-5-15(11-18)19-14/h2-9,14-15,18-19H,10-11H2,1H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene?
3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene has a molecular weight of 281.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 11999316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).