1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one

C13H26BrNO2Si — CID 10449657

IUPAC1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(=O)N1CCBr
InChIInChI=1S/C13H26BrNO2Si/c1-13(2,3)18(4,5)17-10-11-6-7-12(16)15(11)9-8-14/h11H,6-10H2,1-5H3
InChIKeyZGILSFJPCMEKIM-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one

1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one (PubChem CID 10449657) has the molecular formula C13H26BrNO2Si and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
PubChem CID10449657
Molecular FormulaC13H26BrNO2Si
Molecular Weight336.35 g/mol
Exact Mass335.09
IUPAC Name1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(=O)N1CCBr
InChIInChI=1S/C13H26BrNO2Si/c1-13(2,3)18(4,5)17-10-11-6-7-12(16)15(11)9-8-14/h11H,6-10H2,1-5H3
InChIKeyZGILSFJPCMEKIM-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate
CID 86594639
propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
CID 23577213
(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 165026609
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
CID 11268145
2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
CID 15525698
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-1,3-oxazolidin-2-one
CID 173193396
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one
CID 90304976
1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one
CID 13048223

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one (CID 10449657) is 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCC1CCC(=O)N1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
The InChIKey is ZGILSFJPCMEKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2Si/c1-13(2,3)18(4,5)17-10-11-6-7-12(16)15(11)9-8-14/h11H,6-10H2,1-5H3.
What are the key properties of 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one?
1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one has a molecular weight of 336.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 10449657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).