5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane

C20H22N2O — CID 56750530

IUPAC5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane
SMILESC(=C/c1ccccn1)\c1ccc(OC23CCCN(CC2)C3)cc1
InChIInChI=1S/C20H22N2O/c1-2-13-21-18(4-1)8-5-17-6-9-19(10-7-17)23-20-11-3-14-22(16-20)15-12-20/h1-2,4-10,13H,3,11-12,14-16H2/b8-5+
InChIKeyOSWUNJBRKQQUHS-VMPITWQZSA-N
MW306.41 g/mol
LogP3.87
Rot. Bonds4

About 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane

5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane (PubChem CID 56750530) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane
PubChem CID56750530
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane
SMILESC(=C/c1ccccn1)\c1ccc(OC23CCCN(CC2)C3)cc1
InChIInChI=1S/C20H22N2O/c1-2-13-21-18(4-1)8-5-17-6-9-19(10-7-17)23-20-11-3-14-22(16-20)15-12-20/h1-2,4-10,13H,3,11-12,14-16H2/b8-5+
InChIKeyOSWUNJBRKQQUHS-VMPITWQZSA-N
XLogP3.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane (CID 56750530) is 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane is C(=C/c1ccccn1)\c1ccc(OC23CCCN(CC2)C3)cc1.
What is the InChIKey of 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane?
The InChIKey is OSWUNJBRKQQUHS-VMPITWQZSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-13-21-18(4-1)8-5-17-6-9-19(10-7-17)23-20-11-3-14-22(16-20)15-12-20/h1-2,4-10,13H,3,11-12,14-16H2/b8-5+.
What are the key properties of 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane?
5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane has a molecular weight of 306.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 56750530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).