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

C10H11NO2S — CID 57336941

IUPACmethyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(C)c(C)[nH]c2s1
InChIInChI=1S/C10H11NO2S/c1-5-6(2)11-9-7(5)4-8(14-9)10(12)13-3/h4,11H,1-3H3
InChIKeyWQZOOADPRPAIMP-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.63
Rot. Bonds1

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

methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate (PubChem CID 57336941) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate
PubChem CID57336941
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Namemethyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(C)c(C)[nH]c2s1
InChIInChI=1S/C10H11NO2S/c1-5-6(2)11-9-7(5)4-8(14-9)10(12)13-3/h4,11H,1-3H3
InChIKeyWQZOOADPRPAIMP-UHFFFAOYSA-N
XLogP2.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate (CID 57336941) is methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate is COC(=O)c1cc2c(C)c(C)[nH]c2s1.
What is the InChIKey of methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate?
The InChIKey is WQZOOADPRPAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-5-6(2)11-9-7(5)4-8(14-9)10(12)13-3/h4,11H,1-3H3.
What are the key properties of methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate?
methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-6H-thieno[2,3-b]pyrrole-2-carboxylate is sourced from PubChem (CID 57336941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).