1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one

C24H29NO2 — CID 10090129

IUPAC1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one
SMILESO=C1CCN([C@@H]2CCCC[C@H]2OCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H29NO2/c26-21-15-16-25(17-21)23-13-7-8-14-24(23)27-18-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,22-24H,7-8,13-18H2/t23-,24-/m1/s1
InChIKeyLDKPWNZVJCBMGW-DNQXCXABSA-N
MW363.50 g/mol
LogP4.42
Rot. Bonds6

About 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one

1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one (PubChem CID 10090129) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one
PubChem CID10090129
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one
SMILESO=C1CCN([C@@H]2CCCC[C@H]2OCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H29NO2/c26-21-15-16-25(17-21)23-13-7-8-14-24(23)27-18-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,22-24H,7-8,13-18H2/t23-,24-/m1/s1
InChIKeyLDKPWNZVJCBMGW-DNQXCXABSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-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 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one?
The IUPAC name of 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one (CID 10090129) is 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one?
The canonical SMILES for 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one is O=C1CCN([C@@H]2CCCC[C@H]2OCC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one?
The InChIKey is LDKPWNZVJCBMGW-DNQXCXABSA-N. The full InChI is InChI=1S/C24H29NO2/c26-21-15-16-25(17-21)23-13-7-8-14-24(23)27-18-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,22-24H,7-8,13-18H2/t23-,24-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one?
1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one has a molecular weight of 363.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(2,2-diphenylethoxy)cyclohexyl]pyrrolidin-3-one is sourced from PubChem (CID 10090129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).