(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one

C22H29NO2Si — CID 141489122

IUPAC(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29NO2Si/c1-17-18(15-21(24)23-17)16-25-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3,(H,23,24)/t17-,18-/m1/s1
InChIKeySFAQPUKZXFXSIS-QZTJIDSGSA-N
MW367.56 g/mol
LogP3.09
Rot. Bonds5

About (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one

(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one (PubChem CID 141489122) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one
PubChem CID141489122
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29NO2Si/c1-17-18(15-21(24)23-17)16-25-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3,(H,23,24)/t17-,18-/m1/s1
InChIKeySFAQPUKZXFXSIS-QZTJIDSGSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10882735
(5R)-5-[(tert-Butyldiphenylsilyloxy)methyl]pyrrolidine-2-one
CID 10948196
(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
CID 10768172
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 101259554
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 102184859
4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 134849748
(4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 16742491
(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one
CID 22844469
5-(tert-Butyldiphenylsiloxymethyl)pyrrolidine-2-one
CID 58011546
(5S)-5-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one
CID 68333339
5-[3-[Hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidin-2-one
CID 70251814

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one (CID 141489122) is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one is C[C@H]1NC(=O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one?
The InChIKey is SFAQPUKZXFXSIS-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-17-18(15-21(24)23-17)16-25-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3,(H,23,24)/t17-,18-/m1/s1.
What are the key properties of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one?
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one has a molecular weight of 367.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 141489122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).