9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole

C20H24N2O — CID 18593135

IUPAC9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCOCCN1CCCC1
InChIInChI=1S/C20H24N2O/c1-3-9-19-17(7-1)18-8-2-4-10-20(18)22(19)14-16-23-15-13-21-11-5-6-12-21/h1-4,7-10H,5-6,11-16H2
InChIKeyOFLPEDUIYDFMOR-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.91
Rot. Bonds6

About 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole

9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole (PubChem CID 18593135) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole.

Molecular Properties

Compound Name9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
PubChem CID18593135
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCOCCN1CCCC1
InChIInChI=1S/C20H24N2O/c1-3-9-19-17(7-1)18-8-2-4-10-20(18)22(19)14-16-23-15-13-21-11-5-6-12-21/h1-4,7-10H,5-6,11-16H2
InChIKeyOFLPEDUIYDFMOR-UHFFFAOYSA-N
XLogP3.91
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole?
The IUPAC name of 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole (CID 18593135) is 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole.
What is the SMILES notation for 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole?
The canonical SMILES for 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole is c1ccc2c(c1)c1ccccc1n2CCOCCN1CCCC1.
What is the InChIKey of 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole?
The InChIKey is OFLPEDUIYDFMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-9-19-17(7-1)18-8-2-4-10-20(18)22(19)14-16-23-15-13-21-11-5-6-12-21/h1-4,7-10H,5-6,11-16H2.
What are the key properties of 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole?
9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole has a molecular weight of 308.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole is sourced from PubChem (CID 18593135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).