methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

C13H21N3O3Si — CID 71254894

IUPACmethyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCOC(=O)c1cc2c(nc(C)n2OCC[Si](C)(C)C)[nH]1
InChIInChI=1S/C13H21N3O3Si/c1-9-14-12-11(8-10(15-12)13(17)18-2)16(9)19-6-7-20(3,4)5/h8,15H,6-7H2,1-5H3
InChIKeySFUAVIDYUUNYEK-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.23
Rot. Bonds5

About methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (PubChem CID 71254894) has the molecular formula C13H21N3O3Si and a molecular weight of 295.42 g/mol. Its IUPAC name is methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
PubChem CID71254894
Molecular FormulaC13H21N3O3Si
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCOC(=O)c1cc2c(nc(C)n2OCC[Si](C)(C)C)[nH]1
InChIInChI=1S/C13H21N3O3Si/c1-9-14-12-11(8-10(15-12)13(17)18-2)16(9)19-6-7-20(3,4)5/h8,15H,6-7H2,1-5H3
InChIKeySFUAVIDYUUNYEK-UHFFFAOYSA-N
XLogP2.23
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The IUPAC name of methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (CID 71254894) is methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is COC(=O)c1cc2c(nc(C)n2OCC[Si](C)(C)C)[nH]1.
What is the InChIKey of methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The InChIKey is SFUAVIDYUUNYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3Si/c1-9-14-12-11(8-10(15-12)13(17)18-2)16(9)19-6-7-20(3,4)5/h8,15H,6-7H2,1-5H3.
What are the key properties of methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(2-trimethylsilylethoxy)-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 71254894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).