methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate

C8H7NO2S — CID 158673655

IUPACmethyl 4H-thieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)C=NC2
InChIInChI=1S/C8H7NO2S/c1-11-8(10)6-2-5-3-9-4-7(5)12-6/h2,4H,3H2,1H3
InChIKeyRHOQBTKVWSEILJ-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.47
Rot. Bonds1

About methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate

methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate (PubChem CID 158673655) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4H-thieno[2,3-c]pyrrole-2-carboxylate
PubChem CID158673655
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Namemethyl 4H-thieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)C=NC2
InChIInChI=1S/C8H7NO2S/c1-11-8(10)6-2-5-3-9-4-7(5)12-6/h2,4H,3H2,1H3
InChIKeyRHOQBTKVWSEILJ-UHFFFAOYSA-N
XLogP1.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 6-phenyl-4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 157283516
methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 55252787
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate
CID 134341773
methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7987070
methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate
CID 67730058
methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate
CID 70296510
methyl 5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine-2-carboxylate
CID 131270641
methyl 2-tert-butyl-1,1-dioxo-3H-thieno[3,2-d][1,2]thiazole-5-carboxylate
CID 170340530
dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419
methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 2739690
methyl 2-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 151400269

Frequently Asked Questions

What is the IUPAC name of methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate?
The IUPAC name of methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate (CID 158673655) is methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate is COC(=O)c1cc2c(s1)C=NC2.
What is the InChIKey of methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate?
The InChIKey is RHOQBTKVWSEILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-11-8(10)6-2-5-3-9-4-7(5)12-6/h2,4H,3H2,1H3.
What are the key properties of methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate?
methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate has a molecular weight of 181.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate is sourced from PubChem (CID 158673655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).