1-methyl-5-trimethylsilylindole-3-carbaldehyde

C13H17NOSi — CID 165354862

IUPAC1-methyl-5-trimethylsilylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2cc([Si](C)(C)C)ccc21
InChIInChI=1S/C13H17NOSi/c1-14-8-10(9-15)12-7-11(16(2,3)4)5-6-13(12)14/h5-9H,1-4H3
InChIKeyDGZZAAUCQOWATH-UHFFFAOYSA-N
MW231.37 g/mol
LogP2.54
Rot. Bonds2

About 1-methyl-5-trimethylsilylindole-3-carbaldehyde

1-methyl-5-trimethylsilylindole-3-carbaldehyde (PubChem CID 165354862) has the molecular formula C13H17NOSi and a molecular weight of 231.37 g/mol. Its IUPAC name is 1-methyl-5-trimethylsilylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-trimethylsilylindole-3-carbaldehyde
PubChem CID165354862
Molecular FormulaC13H17NOSi
Molecular Weight231.37 g/mol
Exact Mass231.11
IUPAC Name1-methyl-5-trimethylsilylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2cc([Si](C)(C)C)ccc21
InChIInChI=1S/C13H17NOSi/c1-14-8-10(9-15)12-7-11(16(2,3)4)5-6-13(12)14/h5-9H,1-4H3
InChIKeyDGZZAAUCQOWATH-UHFFFAOYSA-N
XLogP2.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-trimethylsilylindole-3-carbaldehyde?
The IUPAC name of 1-methyl-5-trimethylsilylindole-3-carbaldehyde (CID 165354862) is 1-methyl-5-trimethylsilylindole-3-carbaldehyde.
What is the SMILES notation for 1-methyl-5-trimethylsilylindole-3-carbaldehyde?
The canonical SMILES for 1-methyl-5-trimethylsilylindole-3-carbaldehyde is Cn1cc(C=O)c2cc([Si](C)(C)C)ccc21.
What is the InChIKey of 1-methyl-5-trimethylsilylindole-3-carbaldehyde?
The InChIKey is DGZZAAUCQOWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSi/c1-14-8-10(9-15)12-7-11(16(2,3)4)5-6-13(12)14/h5-9H,1-4H3.
What are the key properties of 1-methyl-5-trimethylsilylindole-3-carbaldehyde?
1-methyl-5-trimethylsilylindole-3-carbaldehyde has a molecular weight of 231.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-trimethylsilylindole-3-carbaldehyde is sourced from PubChem (CID 165354862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).