methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate

C11H11NO2S — CID 141074208

IUPACmethyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2sccc2C)[nH]1
InChIInChI=1S/C11H11NO2S/c1-7-5-6-15-10(7)8-3-4-9(12-8)11(13)14-2/h3-6,12H,1-2H3
InChIKeyUZOBFXUOYPDEJQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.84
Rot. Bonds2

About methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate

methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 141074208) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
PubChem CID141074208
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Namemethyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2sccc2C)[nH]1
InChIInChI=1S/C11H11NO2S/c1-7-5-6-15-10(7)8-3-4-9(12-8)11(13)14-2/h3-6,12H,1-2H3
InChIKeyUZOBFXUOYPDEJQ-UHFFFAOYSA-N
XLogP2.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-formylthiophen-3-yl)-1H-pyrrole-2-carboxylate
CID 12748825
methyl 5-(3-methylthiophen-2-yl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 116824110
methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 70855499
methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate
CID 117222306
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349
methyl 5-(2-bromophenyl)-1H-pyrrole-2-carboxylate
CID 117222354
methyl 5-fluoro-1H-pyrrole-2-carboxylate
CID 118498377
methyl 5-(3-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 91664589
methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate
CID 15166985
methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate
CID 163269595
methyl 5-(2-methoxy-2-oxoacetyl)-1H-pyrrole-2-carboxylate
CID 44718745
diaminomethylidene-(5-methoxycarbonyl-1H-pyrrole-2-carbonyl)azanium
CID 101018017

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate (CID 141074208) is methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(-c2sccc2C)[nH]1.
What is the InChIKey of methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is UZOBFXUOYPDEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-5-6-15-10(7)8-3-4-9(12-8)11(13)14-2/h3-6,12H,1-2H3.
What are the key properties of methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 141074208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).