3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione

C18H21BrN2O3Si — CID 10764648

IUPAC3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
SMILESC[Si](C)(C)CCOCn1c(C2=C(Br)C(=O)NC2=O)cc2ccccc21
InChIInChI=1S/C18H21BrN2O3Si/c1-25(2,3)9-8-24-11-21-13-7-5-4-6-12(13)10-14(21)15-16(19)18(23)20-17(15)22/h4-7,10H,8-9,11H2,1-3H3,(H,20,22,23)
InChIKeyOEDSQEYOXASYMA-UHFFFAOYSA-N
MW421.37 g/mol
LogP3.72
Rot. Bonds6

About 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione

3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione (PubChem CID 10764648) has the molecular formula C18H21BrN2O3Si and a molecular weight of 421.37 g/mol. Its IUPAC name is 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
PubChem CID10764648
Molecular FormulaC18H21BrN2O3Si
Molecular Weight421.37 g/mol
Exact Mass420.05
IUPAC Name3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
SMILESC[Si](C)(C)CCOCn1c(C2=C(Br)C(=O)NC2=O)cc2ccccc21
InChIInChI=1S/C18H21BrN2O3Si/c1-25(2,3)9-8-24-11-21-13-7-5-4-6-12(13)10-14(21)15-16(19)18(23)20-17(15)22/h4-7,10H,8-9,11H2,1-3H3,(H,20,22,23)
InChIKeyOEDSQEYOXASYMA-UHFFFAOYSA-N
XLogP3.72
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
(8R)-8-phenylsulfanyl-6-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]-2-oxabicyclo[2.2.2]oct-5-en-3-one
CID 101064849
3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 10690680
4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 68503428
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 177312772
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-bis(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 175715318
4-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
CID 166524443
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione?
The IUPAC name of 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione (CID 10764648) is 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione is C[Si](C)(C)CCOCn1c(C2=C(Br)C(=O)NC2=O)cc2ccccc21.
What is the InChIKey of 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione?
The InChIKey is OEDSQEYOXASYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3Si/c1-25(2,3)9-8-24-11-21-13-7-5-4-6-12(13)10-14(21)15-16(19)18(23)20-17(15)22/h4-7,10H,8-9,11H2,1-3H3,(H,20,22,23).
What are the key properties of 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione?
3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione has a molecular weight of 421.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10764648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).