dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate

C11H17NO4Sn — CID 10759979

IUPACdimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c[nH]c([Sn](C)(C)C)c1C(=O)OC
InChIInChI=1S/C8H8NO4.3CH3.Sn/c1-12-7(10)5-3-9-4-6(5)8(11)13-2;;;;/h3,9H,1-2H3;3*1H3;
InChIKeyYKXLMUJVTWQDME-UHFFFAOYSA-N
MW345.97 g/mol
LogP1.13
Rot. Bonds3

About dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate

dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate (PubChem CID 10759979) has the molecular formula C11H17NO4Sn and a molecular weight of 345.97 g/mol. Its IUPAC name is dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate
PubChem CID10759979
Molecular FormulaC11H17NO4Sn
Molecular Weight345.97 g/mol
Exact Mass347.02
IUPAC Namedimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c[nH]c([Sn](C)(C)C)c1C(=O)OC
InChIInChI=1S/C8H8NO4.3CH3.Sn/c1-12-7(10)5-3-9-4-6(5)8(11)13-2;;;;/h3,9H,1-2H3;3*1H3;
InChIKeyYKXLMUJVTWQDME-UHFFFAOYSA-N
XLogP1.13
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.97
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate (CID 10759979) is dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate is COC(=O)c1c[nH]c([Sn](C)(C)C)c1C(=O)OC.
What is the InChIKey of dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate?
The InChIKey is YKXLMUJVTWQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO4.3CH3.Sn/c1-12-7(10)5-3-9-4-6(5)8(11)13-2;;;;/h3,9H,1-2H3;3*1H3;.
What are the key properties of dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate?
dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate has a molecular weight of 345.97 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate is sourced from PubChem (CID 10759979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).