1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone

C16H22BrNOSi — CID 10594136

IUPAC1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn([Si](C)(C)C(C)(C)C)c2cc(Br)ccc12
InChIInChI=1S/C16H22BrNOSi/c1-11(19)14-10-18(20(5,6)16(2,3)4)15-9-12(17)7-8-13(14)15/h7-10H,1-6H3
InChIKeyCOPBPCUKFBAWAE-UHFFFAOYSA-N
MW352.35 g/mol
LogP5.46
Rot. Bonds2

About 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone

1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone (PubChem CID 10594136) has the molecular formula C16H22BrNOSi and a molecular weight of 352.35 g/mol. Its IUPAC name is 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone
PubChem CID10594136
Molecular FormulaC16H22BrNOSi
Molecular Weight352.35 g/mol
Exact Mass351.07
IUPAC Name1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn([Si](C)(C)C(C)(C)C)c2cc(Br)ccc12
InChIInChI=1S/C16H22BrNOSi/c1-11(19)14-10-18(20(5,6)16(2,3)4)15-9-12(17)7-8-13(14)15/h7-10H,1-6H3
InChIKeyCOPBPCUKFBAWAE-UHFFFAOYSA-N
XLogP5.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone?
The IUPAC name of 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone (CID 10594136) is 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone is CC(=O)c1cn([Si](C)(C)C(C)(C)C)c2cc(Br)ccc12.
What is the InChIKey of 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone?
The InChIKey is COPBPCUKFBAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNOSi/c1-11(19)14-10-18(20(5,6)16(2,3)4)15-9-12(17)7-8-13(14)15/h7-10H,1-6H3.
What are the key properties of 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone?
1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone has a molecular weight of 352.35 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone is sourced from PubChem (CID 10594136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).