[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate

C11H9NO3S — CID 4203769

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)c1ccc[nH]1
InChIInChI=1S/C11H9NO3S/c13-9(8-3-1-5-12-8)7-15-11(14)10-4-2-6-16-10/h1-6,12H,7H2
InChIKeyTYVHXFKFIONVGL-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.12
Rot. Bonds4

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate (PubChem CID 4203769) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate
PubChem CID4203769
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)c1ccc[nH]1
InChIInChI=1S/C11H9NO3S/c13-9(8-3-1-5-12-8)7-15-11(14)10-4-2-6-16-10/h1-6,12H,7H2
InChIKeyTYVHXFKFIONVGL-UHFFFAOYSA-N
XLogP2.12
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2535430
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 2549851
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate
CID 4848682
Methyl 4-{[(thiophen-2-YL)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552063
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chlorothiophene-2-carboxylate
CID 2474001
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
[2-(5-Bromothiophen-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2424772
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
methyl 3-{2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767927
methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767928
Methyl 4-[(3-methoxypropyl)[(thiophen-2-YL)methyl]sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938620

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate (CID 4203769) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate?
The InChIKey is TYVHXFKFIONVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-9(8-3-1-5-12-8)7-15-11(14)10-4-2-6-16-10/h1-6,12H,7H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate has a molecular weight of 235.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 4203769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).