2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

C23H24N2O — CID 68526669

IUPAC2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C(=Cc2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2
InChIInChI=1S/C23H24N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18,23,26H,10-13,15H2
InChIKeyQSSJQRUIQVSAQK-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.12
Rot. Bonds3

About 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 68526669) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID68526669
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C(=Cc2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2
InChIInChI=1S/C23H24N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18,23,26H,10-13,15H2
InChIKeyQSSJQRUIQVSAQK-UHFFFAOYSA-N
XLogP4.12
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (CID 68526669) is 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is OC1C(=Cc2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2.
What is the InChIKey of 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is QSSJQRUIQVSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18,23,26H,10-13,15H2.
What are the key properties of 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 344.46 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylindol-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 68526669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).