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

C24H28N2O — CID 67720865

IUPAC2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole
SMILESCCCC(COc1ccc2c(c1)[nH]c1ccccc12)=C1CN2CCC1CC2
InChIInChI=1S/C24H28N2O/c1-2-5-18(22-15-26-12-10-17(22)11-13-26)16-27-19-8-9-21-20-6-3-4-7-23(20)25-24(21)14-19/h3-4,6-9,14,17,25H,2,5,10-13,15-16H2,1H3
InChIKeyFKOPQPAYRRCKCS-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.52
Rot. Bonds5

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

2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole (PubChem CID 67720865) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole.

Molecular Properties

Compound Name2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole
PubChem CID67720865
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole
SMILESCCCC(COc1ccc2c(c1)[nH]c1ccccc12)=C1CN2CCC1CC2
InChIInChI=1S/C24H28N2O/c1-2-5-18(22-15-26-12-10-17(22)11-13-26)16-27-19-8-9-21-20-6-3-4-7-23(20)25-24(21)14-19/h3-4,6-9,14,17,25H,2,5,10-13,15-16H2,1H3
InChIKeyFKOPQPAYRRCKCS-UHFFFAOYSA-N
XLogP5.52
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole 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 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole?
The IUPAC name of 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole (CID 67720865) is 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole.
What is the SMILES notation for 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole?
The canonical SMILES for 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole is CCCC(COc1ccc2c(c1)[nH]c1ccccc12)=C1CN2CCC1CC2.
What is the InChIKey of 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole?
The InChIKey is FKOPQPAYRRCKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-2-5-18(22-15-26-12-10-17(22)11-13-26)16-27-19-8-9-21-20-6-3-4-7-23(20)25-24(21)14-19/h3-4,6-9,14,17,25H,2,5,10-13,15-16H2,1H3.
What are the key properties of 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole?
2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole has a molecular weight of 360.50 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole is sourced from PubChem (CID 67720865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).