3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one

C24H33NO2Si — CID 67802008

IUPAC3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
SMILESCC1CC(Cc2ccc(-c3ccccc3)cc2)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C24H33NO2Si/c1-19-16-23(25(24(19)26)18-27-14-15-28(2,3)4)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,19,23H,14-18H2,1-4H3
InChIKeyHBSBPABHBKMHJW-UHFFFAOYSA-N
MW395.62 g/mol
LogP5.45
Rot. Bonds8

About 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one

3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one (PubChem CID 67802008) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
PubChem CID67802008
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Name3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one
SMILESCC1CC(Cc2ccc(-c3ccccc3)cc2)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C24H33NO2Si/c1-19-16-23(25(24(19)26)18-27-14-15-28(2,3)4)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,19,23H,14-18H2,1-4H3
InChIKeyHBSBPABHBKMHJW-UHFFFAOYSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylbenzyl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2942279
(R)-Ethyl 1-(3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoyl)piperidine-4-carboxylate
CID 78321036
1-Cyclohexyl-3-(1-phenylethyl)-2,5-pyrrolidinedione
CID 2952519
1-Cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 3130162
3-[4-(4-Methylphenyl)phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 155555505
1-Methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 162675981
2-(3-Methoxypropyl)-8-phenyl-2-azaspiro[4.5]decan-1-one
CID 60158933
(4R)-4-benzyl-3-[(2R,3E)-2-benzyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 11495484
1-(2-Biphenyl-4-yl)ethyl-carbonyl pyrrolidine
CID 117771376
tert-butyl (2S)-2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 68189784
Tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 77421221
tert-butyl (2S)-2-[[4-(2-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 89531666

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one (CID 67802008) is 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one is CC1CC(Cc2ccc(-c3ccccc3)cc2)N(COCC[Si](C)(C)C)C1=O.
What is the InChIKey of 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
The InChIKey is HBSBPABHBKMHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-19-16-23(25(24(19)26)18-27-14-15-28(2,3)4)17-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,19,23H,14-18H2,1-4H3.
What are the key properties of 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one?
3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one has a molecular weight of 395.62 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-phenylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 67802008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).