2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone

C20H23NO — CID 22237342

IUPAC2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone
SMILESCC1(C)CCC(CC(=O)c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C20H23NO/c1-20(2)13-12-18(21-20)14-19(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18,21H,12-14H2,1-2H3
InChIKeyRIEBKPLCULBJGM-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.46
Rot. Bonds4

About 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone

2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 22237342) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone
PubChem CID22237342
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone
SMILESCC1(C)CCC(CC(=O)c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C20H23NO/c1-20(2)13-12-18(21-20)14-19(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18,21H,12-14H2,1-2H3
InChIKeyRIEBKPLCULBJGM-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
CID 116591184
1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
CID 63318739
1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone
CID 132515901
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 162127881
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
[3-(4-phenylbenzoyl)oxy-2-bicyclo[2.2.2]octanyl] 4-phenylbenzoate
CID 170939271
CID 162409088
CID 162409088

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone (CID 22237342) is 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone is CC1(C)CCC(CC(=O)c2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is RIEBKPLCULBJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-20(2)13-12-18(21-20)14-19(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18,21H,12-14H2,1-2H3.
What are the key properties of 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone?
2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 293.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 22237342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).