3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one

C16H24BrNO2Si — CID 135016635

IUPAC3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one
SMILESCC(C)(C)[Si](C)(C)OC1(CCBr)C(=O)Nc2ccccc21
InChIInChI=1S/C16H24BrNO2Si/c1-15(2,3)21(4,5)20-16(10-11-17)12-8-6-7-9-13(12)18-14(16)19/h6-9H,10-11H2,1-5H3,(H,18,19)
InChIKeyMDPNPYBAQJBNFV-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.64
Rot. Bonds4

About 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one

3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one (PubChem CID 135016635) has the molecular formula C16H24BrNO2Si and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one
PubChem CID135016635
Molecular FormulaC16H24BrNO2Si
Molecular Weight370.36 g/mol
Exact Mass369.08
IUPAC Name3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one
SMILESCC(C)(C)[Si](C)(C)OC1(CCBr)C(=O)Nc2ccccc21
InChIInChI=1S/C16H24BrNO2Si/c1-15(2,3)21(4,5)20-16(10-11-17)12-8-6-7-9-13(12)18-14(16)19/h6-9H,10-11H2,1-5H3,(H,18,19)
InChIKeyMDPNPYBAQJBNFV-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one?
The IUPAC name of 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one (CID 135016635) is 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one.
What is the SMILES notation for 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one?
The canonical SMILES for 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one is CC(C)(C)[Si](C)(C)OC1(CCBr)C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one?
The InChIKey is MDPNPYBAQJBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2Si/c1-15(2,3)21(4,5)20-16(10-11-17)12-8-6-7-9-13(12)18-14(16)19/h6-9H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one?
3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one has a molecular weight of 370.36 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-3-[tert-butyl(dimethyl)silyl]oxy-1H-indol-2-one is sourced from PubChem (CID 135016635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).