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

C15H21NO3Si — CID 616370

IUPAC1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H21NO3Si/c1-15(2,3)20(5,6)16-12-8-7-10(19-4)9-11(12)13(17)14(16)18/h7-9H,1-6H3
InChIKeyFZULAOYOZNPMIL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.23
Rot. Bonds2

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

1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione (PubChem CID 616370) has the molecular formula C15H21NO3Si and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione
PubChem CID616370
Molecular FormulaC15H21NO3Si
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H21NO3Si/c1-15(2,3)20(5,6)16-12-8-7-10(19-4)9-11(12)13(17)14(16)18/h7-9H,1-6H3
InChIKeyFZULAOYOZNPMIL-UHFFFAOYSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione (CID 616370) is 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione?
The InChIKey is FZULAOYOZNPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3Si/c1-15(2,3)20(5,6)16-12-8-7-10(19-4)9-11(12)13(17)14(16)18/h7-9H,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione?
1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione has a molecular weight of 291.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-5-methoxyindole-2,3-dione is sourced from PubChem (CID 616370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).