ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate

C16H19NO2SSi — CID 102281917

IUPACethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3[nH]c([Si](C)(C)C)cc32)s1
InChIInChI=1S/C16H19NO2SSi/c1-5-19-16(18)14-8-11-10-9-15(21(2,3)4)17-12(10)6-7-13(11)20-14/h6-9,17H,5H2,1-4H3
InChIKeyRCCJDWJMXFENOI-UHFFFAOYSA-N
MW317.49 g/mol
LogP4.10
Rot. Bonds3

About ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate

ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate (PubChem CID 102281917) has the molecular formula C16H19NO2SSi and a molecular weight of 317.49 g/mol. Its IUPAC name is ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate
PubChem CID102281917
Molecular FormulaC16H19NO2SSi
Molecular Weight317.49 g/mol
Exact Mass317.09
IUPAC Nameethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3[nH]c([Si](C)(C)C)cc32)s1
InChIInChI=1S/C16H19NO2SSi/c1-5-19-16(18)14-8-11-10-9-15(21(2,3)4)17-12(10)6-7-13(11)20-14/h6-9,17H,5H2,1-4H3
InChIKeyRCCJDWJMXFENOI-UHFFFAOYSA-N
XLogP4.10
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
ethyl 2-(4-fluorophenyl)thieno[2,3-g][1,3]benzothiazole-7-carboxylate
CID 102526744
ethyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 56691109
ethyl 5-amino-4-(3-hydroxyprop-1-ynyl)-1-benzothiophene-2-carboxylate
CID 102281908
ethyl 2-phenylthieno[2,3-g][1,3]benzothiazole-7-carboxylate
CID 102526742
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
ethyl 2-acetyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 125472108
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-2-carboxylate
CID 11522800
ethyl 2-benzyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 68663388
ethyl 4-bromo-6-chloro-1-benzothiophene-2-carboxylate
CID 169494860

Frequently Asked Questions

What is the IUPAC name of ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate?
The IUPAC name of ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate (CID 102281917) is ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate.
What is the SMILES notation for ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate?
The canonical SMILES for ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate is CCOC(=O)c1cc2c(ccc3[nH]c([Si](C)(C)C)cc32)s1.
What is the InChIKey of ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate?
The InChIKey is RCCJDWJMXFENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2SSi/c1-5-19-16(18)14-8-11-10-9-15(21(2,3)4)17-12(10)6-7-13(11)20-14/h6-9,17H,5H2,1-4H3.
What are the key properties of ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate?
ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate has a molecular weight of 317.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-trimethylsilyl-6H-thieno[3,2-e]indole-2-carboxylate is sourced from PubChem (CID 102281917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).