(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one

C23H37NO3Si — CID 57332182

IUPAC(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1N1C[C@H](OCc2ccccc2)CC1=O
InChIInChI=1S/C23H37NO3Si/c1-23(2,3)28(4,5)27-21-14-10-9-13-20(21)24-16-19(15-22(24)25)26-17-18-11-7-6-8-12-18/h6-8,11-12,19-21H,9-10,13-17H2,1-5H3/t19-,20-,21-/m1/s1
InChIKeyLQSHDMWGXWWDTC-NJDAHSKKSA-N
MW403.64 g/mol
LogP5.14
Rot. Bonds6

About (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one

(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one (PubChem CID 57332182) has the molecular formula C23H37NO3Si and a molecular weight of 403.64 g/mol. Its IUPAC name is (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one
PubChem CID57332182
Molecular FormulaC23H37NO3Si
Molecular Weight403.64 g/mol
Exact Mass403.25
IUPAC Name(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1N1C[C@H](OCc2ccccc2)CC1=O
InChIInChI=1S/C23H37NO3Si/c1-23(2,3)28(4,5)27-21-14-10-9-13-20(21)24-16-19(15-22(24)25)26-17-18-11-7-6-8-12-18/h6-8,11-12,19-21H,9-10,13-17H2,1-5H3/t19-,20-,21-/m1/s1
InChIKeyLQSHDMWGXWWDTC-NJDAHSKKSA-N
XLogP5.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one 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

(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
CID 134872210
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(2S,3S,4S)-3-(tert-Butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid dibenzyl ester
CID 68283592
Dibenzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoropyrrolidine-1,2-dicarboxylate
CID 77462489
dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
CID 142503988
1-Benzyl-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 23080045
(E,2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-iodoprop-2-enyl]-6-phenylmethoxyhex-4-en-1-one
CID 24862497
(4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 57382150
(4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060620
(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101069820
(2R,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyhexan-1-one
CID 101520607

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one (CID 57332182) is (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1N1C[C@H](OCc2ccccc2)CC1=O.
What is the InChIKey of (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is LQSHDMWGXWWDTC-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H37NO3Si/c1-23(2,3)28(4,5)27-21-14-10-9-13-20(21)24-16-19(15-22(24)25)26-17-18-11-7-6-8-12-18/h6-8,11-12,19-21H,9-10,13-17H2,1-5H3/t19-,20-,21-/m1/s1.
What are the key properties of (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one?
(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 403.64 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 57332182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).