5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione

C14H18BrNO2Si — CID 624996

IUPAC5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione
SMILESCC(C)(C)[Si](C)(C)N1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H18BrNO2Si/c1-14(2,3)19(4,5)16-11-7-6-9(15)8-10(11)12(17)13(16)18/h6-8H,1-5H3
InChIKeyIUTZRVGBYJUGNT-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.98
Rot. Bonds1

About 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione

5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione (PubChem CID 624996) has the molecular formula C14H18BrNO2Si and a molecular weight of 340.29 g/mol. Its IUPAC name is 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione
PubChem CID624996
Molecular FormulaC14H18BrNO2Si
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione
SMILESCC(C)(C)[Si](C)(C)N1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H18BrNO2Si/c1-14(2,3)19(4,5)16-11-7-6-9(15)8-10(11)12(17)13(16)18/h6-8H,1-5H3
InChIKeyIUTZRVGBYJUGNT-UHFFFAOYSA-N
XLogP3.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione?
The IUPAC name of 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione (CID 624996) is 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione is CC(C)(C)[Si](C)(C)N1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione?
The InChIKey is IUTZRVGBYJUGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2Si/c1-14(2,3)19(4,5)16-11-7-6-9(15)8-10(11)12(17)13(16)18/h6-8H,1-5H3.
What are the key properties of 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione?
5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione has a molecular weight of 340.29 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[tert-butyl(dimethyl)silyl]indole-2,3-dione is sourced from PubChem (CID 624996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).