(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one

C23H21NO — CID 101124325

IUPAC(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
SMILESCc1ccc(N2[C@@H](c3ccccc3)CC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-17-12-14-20(15-13-17)24-21(18-8-4-2-5-9-18)16-22(25)23(24)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-,23+/m1/s1
InChIKeyQRLBCEJSCOYKTE-GGAORHGYSA-N
MW327.43 g/mol
LogP5.26
Rot. Bonds3

About (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one

(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one (PubChem CID 101124325) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one.

Molecular Properties

Compound Name(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
PubChem CID101124325
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
SMILESCc1ccc(N2[C@@H](c3ccccc3)CC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-17-12-14-20(15-13-17)24-21(18-8-4-2-5-9-18)16-22(25)23(24)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-,23+/m1/s1
InChIKeyQRLBCEJSCOYKTE-GGAORHGYSA-N
XLogP5.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one 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 (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one?
The IUPAC name of (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one (CID 101124325) is (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one.
What is the SMILES notation for (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one?
The canonical SMILES for (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one is Cc1ccc(N2[C@@H](c3ccccc3)CC(=O)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one?
The InChIKey is QRLBCEJSCOYKTE-GGAORHGYSA-N. The full InChI is InChI=1S/C23H21NO/c1-17-12-14-20(15-13-17)24-21(18-8-4-2-5-9-18)16-22(25)23(24)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-,23+/m1/s1.
What are the key properties of (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one?
(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one has a molecular weight of 327.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one is sourced from PubChem (CID 101124325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).