methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C11H11NO3S — CID 142478563

IUPACmethyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1[nH]c2c(C(C)=O)csc2c1C
InChIInChI=1S/C11H11NO3S/c1-5-8(11(14)15-3)12-9-7(6(2)13)4-16-10(5)9/h4,12H,1-3H3
InChIKeyOIMMTFDNEKBDGI-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.53
Rot. Bonds2

About methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 142478563) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID142478563
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Namemethyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1[nH]c2c(C(C)=O)csc2c1C
InChIInChI=1S/C11H11NO3S/c1-5-8(11(14)15-3)12-9-7(6(2)13)4-16-10(5)9/h4,12H,1-3H3
InChIKeyOIMMTFDNEKBDGI-UHFFFAOYSA-N
XLogP2.53
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-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-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate (CID 142478563) is methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is COC(=O)c1[nH]c2c(C(C)=O)csc2c1C.
What is the InChIKey of methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is OIMMTFDNEKBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-5-8(11(14)15-3)12-9-7(6(2)13)4-16-10(5)9/h4,12H,1-3H3.
What are the key properties of methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate?
methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 142478563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).