tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate

C15H29NO2Sn2 — CID 15169099

IUPACtert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c([Sn](C)(C)C)ccc1[Sn](C)(C)C
InChIInChI=1S/C9H11NO2.6CH3.2Sn/c1-9(2,3)12-8(11)10-6-4-5-7-10;;;;;;;;/h4-5H,1-3H3;6*1H3;;
InChIKeyWJMWNWIAMRXQSH-UHFFFAOYSA-N
MW492.82 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate

tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate (PubChem CID 15169099) has the molecular formula C15H29NO2Sn2 and a molecular weight of 492.82 g/mol. Its IUPAC name is tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate
PubChem CID15169099
Molecular FormulaC15H29NO2Sn2
Molecular Weight492.82 g/mol
Exact Mass495.02
IUPAC Nametert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c([Sn](C)(C)C)ccc1[Sn](C)(C)C
InChIInChI=1S/C9H11NO2.6CH3.2Sn/c1-9(2,3)12-8(11)10-6-4-5-7-10;;;;;;;;/h4-5H,1-3H3;6*1H3;;
InChIKeyWJMWNWIAMRXQSH-UHFFFAOYSA-N
XLogP3.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.82
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-bromo-2-trimethylstannylindole-1-carboxylate
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tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
CID 44552230
tert-butyl 4-iodo-2-methylimidazole-1-carboxylate
CID 178024038
tert-butyl 2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-10-carboxylate
CID 122202526
tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
CID 143547748
tert-butyl 3-methyl-2-oxobenzimidazole-1-carboxylate
CID 154029435
tert-butyl 2,5-bis(N-phenylanilino)pyrrole-1-carboxylate
CID 139840287
tert-butyl 2-hydroxyindole-1-carboxylate
CID 59887114
tert-butyl 5-ethyl-2-methylimidazole-1-carboxylate
CID 59476393
tert-butyl pyrido[2,3-b]indole-9-carboxylate
CID 141177264
tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate
CID 144913835
tert-butyl 2,5-dichloro-3-methylpyrrole-1-carboxylate
CID 139840186

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate (CID 15169099) is tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate is CC(C)(C)OC(=O)n1c([Sn](C)(C)C)ccc1[Sn](C)(C)C.
What is the InChIKey of tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate?
The InChIKey is WJMWNWIAMRXQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.6CH3.2Sn/c1-9(2,3)12-8(11)10-6-4-5-7-10;;;;;;;;/h4-5H,1-3H3;6*1H3;;.
What are the key properties of tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate?
tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate has a molecular weight of 492.82 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-bis(trimethylstannyl)pyrrole-1-carboxylate is sourced from PubChem (CID 15169099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).