2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile

C18H26N2O2Si — CID 15525698

IUPAC2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccccc1C#N
InChIInChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-13-15-10-11-17(21)20(15)16-9-7-6-8-14(16)12-19/h6-9,15H,10-11,13H2,1-5H3/t15-/m0/s1
InChIKeyBUDZNYVCDHMGAF-HNNXBMFYSA-N
MW330.50 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile

2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile (PubChem CID 15525698) has the molecular formula C18H26N2O2Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
PubChem CID15525698
Molecular FormulaC18H26N2O2Si
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccccc1C#N
InChIInChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-13-15-10-11-17(21)20(15)16-9-7-6-8-14(16)12-19/h6-9,15H,10-11,13H2,1-5H3/t15-/m0/s1
InChIKeyBUDZNYVCDHMGAF-HNNXBMFYSA-N
XLogP4.08
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
CID 11268145
1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 10449657
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
S-[2-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate
CID 56834438
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 174030231
(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 165026609
(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one
CID 101019877
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
2-[4-[5-[(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoro-2-pyridinyl)piperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile
CID 140869962
3-methyl-4-[(5R)-2-oxo-5-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 88564322

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
The IUPAC name of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile (CID 15525698) is 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccccc1C#N.
What is the InChIKey of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
The InChIKey is BUDZNYVCDHMGAF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2Si/c1-18(2,3)23(4,5)22-13-15-10-11-17(21)20(15)16-9-7-6-8-14(16)12-19/h6-9,15H,10-11,13H2,1-5H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile?
2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile has a molecular weight of 330.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 15525698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).