methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C9H9NO2S — CID 7516684

IUPACmethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(C)cc2[nH]1
InChIInChI=1S/C9H9NO2S/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3
InChIKeyAGEYHRRXKZBQTG-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.32
Rot. Bonds1

About methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 7516684) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID7516684
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Namemethyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(C)cc2[nH]1
InChIInChI=1S/C9H9NO2S/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3
InChIKeyAGEYHRRXKZBQTG-UHFFFAOYSA-N
XLogP2.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (CID 7516684) is methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2sc(C)cc2[nH]1.
What is the InChIKey of methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is AGEYHRRXKZBQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3.
What are the key properties of methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 195.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 7516684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).