methyl 3-indolizin-3-ylthiophene-2-carboxylate

C14H11NO2S — CID 141145966

IUPACmethyl 3-indolizin-3-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc2ccccn12
InChIInChI=1S/C14H11NO2S/c1-17-14(16)13-11(7-9-18-13)12-6-5-10-4-2-3-8-15(10)12/h2-9H,1H3
InChIKeyYQEWAZNDPCNSRS-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.45
Rot. Bonds2

About methyl 3-indolizin-3-ylthiophene-2-carboxylate

methyl 3-indolizin-3-ylthiophene-2-carboxylate (PubChem CID 141145966) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 3-indolizin-3-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-indolizin-3-ylthiophene-2-carboxylate
PubChem CID141145966
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Namemethyl 3-indolizin-3-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc2ccccn12
InChIInChI=1S/C14H11NO2S/c1-17-14(16)13-11(7-9-18-13)12-6-5-10-4-2-3-8-15(10)12/h2-9H,1H3
InChIKeyYQEWAZNDPCNSRS-UHFFFAOYSA-N
XLogP3.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-indolizin-3-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-indolizin-3-ylthiophene-2-carboxylate (CID 141145966) is methyl 3-indolizin-3-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-indolizin-3-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-indolizin-3-ylthiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc2ccccn12.
What is the InChIKey of methyl 3-indolizin-3-ylthiophene-2-carboxylate?
The InChIKey is YQEWAZNDPCNSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-14(16)13-11(7-9-18-13)12-6-5-10-4-2-3-8-15(10)12/h2-9H,1H3.
What are the key properties of methyl 3-indolizin-3-ylthiophene-2-carboxylate?
methyl 3-indolizin-3-ylthiophene-2-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-indolizin-3-ylthiophene-2-carboxylate is sourced from PubChem (CID 141145966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).