thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate

C10H9NO2S — CID 165389814

IUPACthiophen-2-ylmethyl 1H-pyrrole-2-carboxylate
SMILESO=C(OCc1cccs1)c1ccc[nH]1
InChIInChI=1S/C10H9NO2S/c12-10(9-4-1-5-11-9)13-7-8-3-2-6-14-8/h1-6,11H,7H2
InChIKeyQDJGUBQFJPFLNZ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.43
Rot. Bonds3

About thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate

thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate (PubChem CID 165389814) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 1H-pyrrole-2-carboxylate
PubChem CID165389814
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Namethiophen-2-ylmethyl 1H-pyrrole-2-carboxylate
SMILESO=C(OCc1cccs1)c1ccc[nH]1
InChIInChI=1S/C10H9NO2S/c12-10(9-4-1-5-11-9)13-7-8-3-2-6-14-8/h1-6,11H,7H2
InChIKeyQDJGUBQFJPFLNZ-UHFFFAOYSA-N
XLogP2.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1H-pyrrole-2-carboxylate
CID 255670
[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
methyl 4-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938615
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4003315
Methyl 4-[(3-methoxypropyl)[(thiophen-2-YL)methyl]sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938620
Methyl 4-{[2-(3-methylthiophen-2-YL)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552126

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate (CID 165389814) is thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate is O=C(OCc1cccs1)c1ccc[nH]1.
What is the InChIKey of thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate?
The InChIKey is QDJGUBQFJPFLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-10(9-4-1-5-11-9)13-7-8-3-2-6-14-8/h1-6,11H,7H2.
What are the key properties of thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate?
thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate has a molecular weight of 207.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 165389814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).