tert-butyl thieno[3,2-b]pyrrole-4-carboxylate

C11H13NO2S — CID 90077330

IUPACtert-butyl thieno[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2sccc21
InChIInChI=1S/C11H13NO2S/c1-11(2,3)14-10(13)12-6-4-9-8(12)5-7-15-9/h4-7H,1-3H3
InChIKeyNMWJBSCIDDDUKA-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.49
Rot. Bonds

About tert-butyl thieno[3,2-b]pyrrole-4-carboxylate

tert-butyl thieno[3,2-b]pyrrole-4-carboxylate (PubChem CID 90077330) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is tert-butyl thieno[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl thieno[3,2-b]pyrrole-4-carboxylate
PubChem CID90077330
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Nametert-butyl thieno[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2sccc21
InChIInChI=1S/C11H13NO2S/c1-11(2,3)14-10(13)12-6-4-9-8(12)5-7-15-9/h4-7H,1-3H3
InChIKeyNMWJBSCIDDDUKA-UHFFFAOYSA-N
XLogP3.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl thieno[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of tert-butyl thieno[3,2-b]pyrrole-4-carboxylate (CID 90077330) is tert-butyl thieno[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for tert-butyl thieno[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for tert-butyl thieno[3,2-b]pyrrole-4-carboxylate is CC(C)(C)OC(=O)n1ccc2sccc21.
What is the InChIKey of tert-butyl thieno[3,2-b]pyrrole-4-carboxylate?
The InChIKey is NMWJBSCIDDDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-11(2,3)14-10(13)12-6-4-9-8(12)5-7-15-9/h4-7H,1-3H3.
What are the key properties of tert-butyl thieno[3,2-b]pyrrole-4-carboxylate?
tert-butyl thieno[3,2-b]pyrrole-4-carboxylate has a molecular weight of 223.30 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl thieno[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 90077330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).