5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

C13H16BrNOSi — CID 57493914

IUPAC5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNOSi/c1-17(2,3)16-13(9-15)7-6-10-8-11(14)4-5-12(10)13/h4-5,8H,6-7H2,1-3H3
InChIKeyBTESNBAXNUBLCW-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.97
Rot. Bonds2

About 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (PubChem CID 57493914) has the molecular formula C13H16BrNOSi and a molecular weight of 310.27 g/mol. Its IUPAC name is 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
PubChem CID57493914
Molecular FormulaC13H16BrNOSi
Molecular Weight310.27 g/mol
Exact Mass309.02
IUPAC Name5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNOSi/c1-17(2,3)16-13(9-15)7-6-10-8-11(14)4-5-12(10)13/h4-5,8H,6-7H2,1-3H3
InChIKeyBTESNBAXNUBLCW-UHFFFAOYSA-N
XLogP3.97
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Trimethylsilyl)oxy]-2,3-dihydro-1H-indene-1-carbonitrile
CID 14822594
2-(4-Bromophenyl)-2-trimethylsilyloxypropanenitrile
CID 19424686
5-Bromo-4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 150204545
5-Bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 151437799
5-Bromo-4-fluoro-1-hydroxy-2,3-dihydroindene-1-carbonitrile
CID 167026336
6-bromo-3-[tert-butyl(dimethyl)silyl]oxy-7-fluoro-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 172487292
6-bromo-3-[tert-butyl(dimethyl)silyl]oxy-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 172487406
2-(5-Bromo-2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 178948848
(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile
CID 122391965
(1R)-5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 124635320
2-(3-Bromo-4-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 10980006
(1S,2S)-2-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 71746928

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (CID 57493914) is 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The InChIKey is BTESNBAXNUBLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOSi/c1-17(2,3)16-13(9-15)7-6-10-8-11(14)4-5-12(10)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile has a molecular weight of 310.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 57493914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).