1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone

C22H29NO2Si — CID 175786278

IUPAC1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone
SMILES[2H]N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C(C)=O
InChIInChI=1S/C22H29NO2Si/c1-17(24)21-20(15-16-23-21)25-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23H,15-16H2,1-4H3/i/hD
InChIKeyMUQLDIPZIIJPHC-DYCDLGHISA-N
MW368.57 g/mol
LogP2.88
Rot. Bonds5

About 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone

1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone (PubChem CID 175786278) has the molecular formula C22H29NO2Si and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone
PubChem CID175786278
Molecular FormulaC22H29NO2Si
Molecular Weight368.57 g/mol
Exact Mass368.20
IUPAC Name1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone
SMILES[2H]N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C(C)=O
InChIInChI=1S/C22H29NO2Si/c1-17(24)21-20(15-16-23-21)25-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23H,15-16H2,1-4H3/i/hD
InChIKeyMUQLDIPZIIJPHC-DYCDLGHISA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-4-(tert-Butyldiphenylsilyloxy)-L-proline
CID 11552425
(2R,4R)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-2-carboxylic acid
CID 16114672
(4S)-4-{[tert-Butyl(diphenyl)silyl]oxy}-D-proline
CID 71414920
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11003169
(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 124645681
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
(4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 16742491
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 57535677
(5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 68018634
4-[Tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 71317354
4-[Tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 73318327
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
CID 135397199

Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone (CID 175786278) is 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone is [2H]N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C(C)=O.
What is the InChIKey of 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone?
The InChIKey is MUQLDIPZIIJPHC-DYCDLGHISA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-17(24)21-20(15-16-23-21)25-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23H,15-16H2,1-4H3/i/hD.
What are the key properties of 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone?
1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone has a molecular weight of 368.57 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(diphenyl)silyl]oxy-1-deuteriopyrrolidin-2-yl]ethanone is sourced from PubChem (CID 175786278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).