methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate

C10H13NO2S — CID 10703720

IUPACmethyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2)s1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)8-4-5-9(14-8)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3
InChIKeyISFZQTKPWLACQR-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.13
Rot. Bonds2

About methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate

methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate (PubChem CID 10703720) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
PubChem CID10703720
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2)s1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)8-4-5-9(14-8)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3
InChIKeyISFZQTKPWLACQR-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate?
The IUPAC name of methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate (CID 10703720) is methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate is COC(=O)c1ccc(N2CCCC2)s1.
What is the InChIKey of methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate?
The InChIKey is ISFZQTKPWLACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(12)8-4-5-9(14-8)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3.
What are the key properties of methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate?
methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate is sourced from PubChem (CID 10703720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).