3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile

C13H16N2Si — CID 57475127

IUPAC3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile
SMILESCc1c([Si](C)(C)C)[nH]c2ccc(C#N)cc12
InChIInChI=1S/C13H16N2Si/c1-9-11-7-10(8-14)5-6-12(11)15-13(9)16(2,3)4/h5-7,15H,1-4H3
InChIKeyOGAHTBUVXKSTDT-UHFFFAOYSA-N
MW228.37 g/mol
LogP2.89
Rot. Bonds1

About 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile

3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile (PubChem CID 57475127) has the molecular formula C13H16N2Si and a molecular weight of 228.37 g/mol. Its IUPAC name is 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile
PubChem CID57475127
Molecular FormulaC13H16N2Si
Molecular Weight228.37 g/mol
Exact Mass228.11
IUPAC Name3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile
SMILESCc1c([Si](C)(C)C)[nH]c2ccc(C#N)cc12
InChIInChI=1S/C13H16N2Si/c1-9-11-7-10(8-14)5-6-12(11)15-13(9)16(2,3)4/h5-7,15H,1-4H3
InChIKeyOGAHTBUVXKSTDT-UHFFFAOYSA-N
XLogP2.89
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile?
The IUPAC name of 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile (CID 57475127) is 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile is Cc1c([Si](C)(C)C)[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile?
The InChIKey is OGAHTBUVXKSTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2Si/c1-9-11-7-10(8-14)5-6-12(11)15-13(9)16(2,3)4/h5-7,15H,1-4H3.
What are the key properties of 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile?
3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile has a molecular weight of 228.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 57475127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).