(3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane

C15H19NO — CID 16725873

IUPAC(3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc(/C=C2/CN3CCC2CC3)cc1
InChIInChI=1S/C15H19NO/c1-17-15-4-2-12(3-5-15)10-14-11-16-8-6-13(14)7-9-16/h2-5,10,13H,6-9,11H2,1H3/b14-10-
InChIKeySZNBTZJBXVMNDI-UVTDQMKNSA-N
MW229.32 g/mol
LogP2.80
Rot. Bonds2

About (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane

(3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane (PubChem CID 16725873) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane
PubChem CID16725873
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc(/C=C2/CN3CCC2CC3)cc1
InChIInChI=1S/C15H19NO/c1-17-15-4-2-12(3-5-15)10-14-11-16-8-6-13(14)7-9-16/h2-5,10,13H,6-9,11H2,1H3/b14-10-
InChIKeySZNBTZJBXVMNDI-UVTDQMKNSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane 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 (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane (CID 16725873) is (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane is COc1ccc(/C=C2/CN3CCC2CC3)cc1.
What is the InChIKey of (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
The InChIKey is SZNBTZJBXVMNDI-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H19NO/c1-17-15-4-2-12(3-5-15)10-14-11-16-8-6-13(14)7-9-16/h2-5,10,13H,6-9,11H2,1H3/b14-10-.
What are the key properties of (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane?
(3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane has a molecular weight of 229.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 16725873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).