7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one

C24H27ClN2O — CID 67037746

IUPAC7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
SMILESO=C1NCC2(N3CCCC3)CC(c3ccccc3)C1C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H27ClN2O/c25-19-10-8-18(9-11-19)21-15-24(27-12-4-5-13-27)14-20(17-6-2-1-3-7-17)22(21)23(28)26-16-24/h1-3,6-11,20-22H,4-5,12-16H2,(H,26,28)
InChIKeyTVIUJVGHOIDLOD-UHFFFAOYSA-N
MW394.95 g/mol
LogP4.58
Rot. Bonds3

About 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one

7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one (PubChem CID 67037746) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
PubChem CID67037746
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
SMILESO=C1NCC2(N3CCCC3)CC(c3ccccc3)C1C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H27ClN2O/c25-19-10-8-18(9-11-19)21-15-24(27-12-4-5-13-27)14-20(17-6-2-1-3-7-17)22(21)23(28)26-16-24/h1-3,6-11,20-22H,4-5,12-16H2,(H,26,28)
InChIKeyTVIUJVGHOIDLOD-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The IUPAC name of 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one (CID 67037746) is 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one.
What is the SMILES notation for 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The canonical SMILES for 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one is O=C1NCC2(N3CCCC3)CC(c3ccccc3)C1C(c1ccc(Cl)cc1)C2.
What is the InChIKey of 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The InChIKey is TVIUJVGHOIDLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c25-19-10-8-18(9-11-19)21-15-24(27-12-4-5-13-27)14-20(17-6-2-1-3-7-17)22(21)23(28)26-16-24/h1-3,6-11,20-22H,4-5,12-16H2,(H,26,28).
What are the key properties of 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one has a molecular weight of 394.95 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one is sourced from PubChem (CID 67037746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).