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

C19H20N2O — CID 57485799

IUPAC7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(Oc3ccccc3)c2)CC2CNCC1C2
InChIInChI=1S/C19H20N2O/c1-2-4-18(5-3-1)22-19-9-17(12-21-13-19)16-7-14-6-15(8-16)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
InChIKeyGTVWKLSULFFQST-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.89
Rot. Bonds3

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

7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 57485799) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID57485799
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(Oc3ccccc3)c2)CC2CNCC1C2
InChIInChI=1S/C19H20N2O/c1-2-4-18(5-3-1)22-19-9-17(12-21-13-19)16-7-14-6-15(8-16)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
InChIKeyGTVWKLSULFFQST-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (CID 57485799) is 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is C1=C(c2cncc(Oc3ccccc3)c2)CC2CNCC1C2.
What is the InChIKey of 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is GTVWKLSULFFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-4-18(5-3-1)22-19-9-17(12-21-13-19)16-7-14-6-15(8-16)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2.
What are the key properties of 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 292.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 57485799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).