ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate

C11H13NO3S — CID 121222411

IUPACethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCC2=O)s1
InChIInChI=1S/C11H13NO3S/c1-2-15-11(14)8-5-6-10(16-8)12-7-3-4-9(12)13/h5-6H,2-4,7H2,1H3
InChIKeyVHCRUKGPUPMKOM-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.05
Rot. Bonds3

About ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate

ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate (PubChem CID 121222411) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate
PubChem CID121222411
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Nameethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCC2=O)s1
InChIInChI=1S/C11H13NO3S/c1-2-15-11(14)8-5-6-10(16-8)12-7-3-4-9(12)13/h5-6H,2-4,7H2,1H3
InChIKeyVHCRUKGPUPMKOM-UHFFFAOYSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-hexadecylamino-2-thiophenecarboxylate
CID 20503573
Ethyl 5-(piperazin-1-yl)thiophene-2-carboxylate
CID 119025557
Ethyl 5-(cyclohexylamino)thiophene-2-carboxylate
CID 134304249
Methyl 5-[bromo-(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
CID 87132744
Methyl 5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
CID 172778613
Methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 10703720
Methyl 5-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 60437097
Methyl 5-(piperazin-1-yl)thiophene-2-carboxylate
CID 122236467
5-(2,2,2-trifluoro-N-methylacetamido)thiophene-2-carboxylic acid
CID 165915053
Ethyl 5-[(2-ethoxy-2-oxoethyl)amino]thiophene-2-carboxylate
CID 271573
Methyl 5-(cyclobutanecarbonylamino)thiophene-2-carboxylate
CID 40041998
Ethyl 5-acetamidothiophene-2-carboxylate
CID 13742235

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate (CID 121222411) is ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate is CCOC(=O)c1ccc(N2CCCC2=O)s1.
What is the InChIKey of ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?
The InChIKey is VHCRUKGPUPMKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-2-15-11(14)8-5-6-10(16-8)12-7-3-4-9(12)13/h5-6H,2-4,7H2,1H3.
What are the key properties of ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?
ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-oxopyrrolidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 121222411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).