2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole

C21H22N2O — CID 22829467

IUPAC2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
SMILESC(\COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2
InChIInChI=1S/C21H22N2O/c1-2-4-20-18(3-1)19-6-5-17(13-21(19)22-20)24-12-9-16-14-23-10-7-15(16)8-11-23/h1-6,9,13,15,22H,7-8,10-12,14H2/b16-9-
InChIKeySBCGRHFQLBWMSA-SXGWCWSVSA-N
MW318.42 g/mol
LogP4.35
Rot. Bonds3

About 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole

2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole (PubChem CID 22829467) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole.

Molecular Properties

Compound Name2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
PubChem CID22829467
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
SMILESC(\COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2
InChIInChI=1S/C21H22N2O/c1-2-4-20-18(3-1)19-6-5-17(13-21(19)22-20)24-12-9-16-14-23-10-7-15(16)8-11-23/h1-6,9,13,15,22H,7-8,10-12,14H2/b16-9-
InChIKeySBCGRHFQLBWMSA-SXGWCWSVSA-N
XLogP4.35
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
The IUPAC name of 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole (CID 22829467) is 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole.
What is the SMILES notation for 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
The canonical SMILES for 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole is C(\COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2.
What is the InChIKey of 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
The InChIKey is SBCGRHFQLBWMSA-SXGWCWSVSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-4-20-18(3-1)19-6-5-17(13-21(19)22-20)24-12-9-16-14-23-10-7-15(16)8-11-23/h1-6,9,13,15,22H,7-8,10-12,14H2/b16-9-.
What are the key properties of 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole has a molecular weight of 318.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole is sourced from PubChem (CID 22829467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).