methyl 3-pyrrol-1-ylthiophene-2-carboxylate

C10H9NO2S — CID 522560

IUPACmethyl 3-pyrrol-1-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C10H9NO2S/c1-13-10(12)9-8(4-7-14-9)11-5-2-3-6-11/h2-7H,1H3
InChIKeyFYNQCKPHPLFYDN-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.33
Rot. Bonds2

About methyl 3-pyrrol-1-ylthiophene-2-carboxylate

methyl 3-pyrrol-1-ylthiophene-2-carboxylate (PubChem CID 522560) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl 3-pyrrol-1-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyrrol-1-ylthiophene-2-carboxylate
PubChem CID522560
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Namemethyl 3-pyrrol-1-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C10H9NO2S/c1-13-10(12)9-8(4-7-14-9)11-5-2-3-6-11/h2-7H,1H3
InChIKeyFYNQCKPHPLFYDN-UHFFFAOYSA-N
XLogP2.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid
CID 2776534
3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid
CID 2808418
Methyl 3-(isonicotinamido)thiophene-2-carboxylate
CID 897624
4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
CID 3481483
methyl 3-{2-[2-oxo-2-(1-pyrrolidinyl)acetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767924
methyl 3-{2-[(allylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3739207
methyl 3-{2-[(methylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3739388
cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate
CID 4358873
methyl 3-[2-(morpholinocarbonyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate
CID 5185926
2-(methylsulfanyl)-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
CID 1484950
Methyl 4-(methanesulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
CID 2778579
methyl 4-(tert-butylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
CID 2819505

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrol-1-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-pyrrol-1-ylthiophene-2-carboxylate (CID 522560) is methyl 3-pyrrol-1-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-pyrrol-1-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-pyrrol-1-ylthiophene-2-carboxylate is COC(=O)c1sccc1-n1cccc1.
What is the InChIKey of methyl 3-pyrrol-1-ylthiophene-2-carboxylate?
The InChIKey is FYNQCKPHPLFYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-13-10(12)9-8(4-7-14-9)11-5-2-3-6-11/h2-7H,1H3.
What are the key properties of methyl 3-pyrrol-1-ylthiophene-2-carboxylate?
methyl 3-pyrrol-1-ylthiophene-2-carboxylate has a molecular weight of 207.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrol-1-ylthiophene-2-carboxylate is sourced from PubChem (CID 522560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).