6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane

C24H28Cl2N2 — CID 51347216

IUPAC6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane
SMILESClc1ccccc1C1CC2(N3CCCC3)CNCC1C(c1ccccc1Cl)C2
InChIInChI=1S/C24H28Cl2N2/c25-22-9-3-1-7-17(22)19-13-24(28-11-5-6-12-28)14-20(21(19)15-27-16-24)18-8-2-4-10-23(18)26/h1-4,7-10,19-21,27H,5-6,11-16H2
InChIKeyISJHFKMZIUGOGO-UHFFFAOYSA-N
MW415.41 g/mol
LogP5.71
Rot. Bonds3

About 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane

6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane (PubChem CID 51347216) has the molecular formula C24H28Cl2N2 and a molecular weight of 415.41 g/mol. Its IUPAC name is 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane
PubChem CID51347216
Molecular FormulaC24H28Cl2N2
Molecular Weight415.41 g/mol
Exact Mass414.16
IUPAC Name6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane
SMILESClc1ccccc1C1CC2(N3CCCC3)CNCC1C(c1ccccc1Cl)C2
InChIInChI=1S/C24H28Cl2N2/c25-22-9-3-1-7-17(22)19-13-24(28-11-5-6-12-28)14-20(21(19)15-27-16-24)18-8-2-4-10-23(18)26/h1-4,7-10,19-21,27H,5-6,11-16H2
InChIKeyISJHFKMZIUGOGO-UHFFFAOYSA-N
XLogP5.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane?
The IUPAC name of 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane (CID 51347216) is 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane?
The canonical SMILES for 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane is Clc1ccccc1C1CC2(N3CCCC3)CNCC1C(c1ccccc1Cl)C2.
What is the InChIKey of 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane?
The InChIKey is ISJHFKMZIUGOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2/c25-22-9-3-1-7-17(22)19-13-24(28-11-5-6-12-28)14-20(21(19)15-27-16-24)18-8-2-4-10-23(18)26/h1-4,7-10,19-21,27H,5-6,11-16H2.
What are the key properties of 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane?
6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane has a molecular weight of 415.41 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-bis(2-chlorophenyl)-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 51347216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).