3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

C20H22N2O — CID 71457135

IUPAC3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3cncc(Oc4ccccc4)c3)CC(C2)C1
InChIInChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3
InChIKeyJPNUKJAOPRHHRY-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.23
Rot. Bonds3

About 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71457135) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71457135
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCN1CC2C=C(c3cncc(Oc4ccccc4)c3)CC(C2)C1
InChIInChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3
InChIKeyJPNUKJAOPRHHRY-UHFFFAOYSA-N
XLogP4.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (CID 71457135) is 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is CN1CC2C=C(c3cncc(Oc4ccccc4)c3)CC(C2)C1.
What is the InChIKey of 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is JPNUKJAOPRHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3.
What are the key properties of 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 306.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71457135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).