3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one

C14H21NO2Si — CID 141316248

IUPAC3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one
SMILESC[Si](C)(C)CCOCC1C(=O)Nc2ccccc21
InChIInChI=1S/C14H21NO2Si/c1-18(2,3)9-8-17-10-12-11-6-4-5-7-13(11)15-14(12)16/h4-7,12H,8-10H2,1-3H3,(H,15,16)
InChIKeyYZJYFJSVMQLPNZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.08
Rot. Bonds5

About 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one

3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one (PubChem CID 141316248) has the molecular formula C14H21NO2Si and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one
PubChem CID141316248
Molecular FormulaC14H21NO2Si
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one
SMILESC[Si](C)(C)CCOCC1C(=O)Nc2ccccc21
InChIInChI=1S/C14H21NO2Si/c1-18(2,3)9-8-17-10-12-11-6-4-5-7-13(11)15-14(12)16/h4-7,12H,8-10H2,1-3H3,(H,15,16)
InChIKeyYZJYFJSVMQLPNZ-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one (CID 141316248) is 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one is C[Si](C)(C)CCOCC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one?
The InChIKey is YZJYFJSVMQLPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2Si/c1-18(2,3)9-8-17-10-12-11-6-4-5-7-13(11)15-14(12)16/h4-7,12H,8-10H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one?
3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one has a molecular weight of 263.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylethoxymethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 141316248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).