methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate

C10H9NO2S — CID 137333247

IUPACmethyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]ccc1-c1ccsc1
InChIInChI=1S/C10H9NO2S/c1-13-10(12)9-8(2-4-11-9)7-3-5-14-6-7/h2-6,11H,1H3
InChIKeyMWXWPJLIOHMXSF-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.53
Rot. Bonds2

About methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate

methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate (PubChem CID 137333247) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate
PubChem CID137333247
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Namemethyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]ccc1-c1ccsc1
InChIInChI=1S/C10H9NO2S/c1-13-10(12)9-8(2-4-11-9)7-3-5-14-6-7/h2-6,11H,1H3
InChIKeyMWXWPJLIOHMXSF-UHFFFAOYSA-N
XLogP2.53
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-thiophen-3-yl-1H-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate (CID 137333247) is methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]ccc1-c1ccsc1.
What is the InChIKey of methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate?
The InChIKey is MWXWPJLIOHMXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-13-10(12)9-8(2-4-11-9)7-3-5-14-6-7/h2-6,11H,1H3.
What are the key properties of methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate?
methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate has a molecular weight of 207.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 137333247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).