methyl 5-thiophen-3-ylindolizine-2-carboxylate

C14H11NO2S — CID 141360977

IUPACmethyl 5-thiophen-3-ylindolizine-2-carboxylate
SMILESCOC(=O)c1cc2cccc(-c3ccsc3)n2c1
InChIInChI=1S/C14H11NO2S/c1-17-14(16)11-7-12-3-2-4-13(15(12)8-11)10-5-6-18-9-10/h2-9H,1H3
InChIKeyDCRDWSHVWOYVIJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.45
Rot. Bonds2

About methyl 5-thiophen-3-ylindolizine-2-carboxylate

methyl 5-thiophen-3-ylindolizine-2-carboxylate (PubChem CID 141360977) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 5-thiophen-3-ylindolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-thiophen-3-ylindolizine-2-carboxylate
PubChem CID141360977
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Namemethyl 5-thiophen-3-ylindolizine-2-carboxylate
SMILESCOC(=O)c1cc2cccc(-c3ccsc3)n2c1
InChIInChI=1S/C14H11NO2S/c1-17-14(16)11-7-12-3-2-4-13(15(12)8-11)10-5-6-18-9-10/h2-9H,1H3
InChIKeyDCRDWSHVWOYVIJ-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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Related Compounds

methyl 5-(3-methylphenyl)indolizine-2-carboxylate
CID 141361015
methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate
CID 141360951
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
methyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 121205064
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 2-thiophen-3-yl-1H-indole-3-carboxylate
CID 57412548
methyl 3-thiophen-3-yl-1H-pyrrole-2-carboxylate
CID 137333247
methyl 11-oxo-5,6-dihydropyrrolo[1,2-c][3]benzazepine-2-carboxylate
CID 13152889
[3-(methylamino)azetidin-1-yl]-(3-thiophen-3-ylphenyl)methanone
CID 172895392

Frequently Asked Questions

What is the IUPAC name of methyl 5-thiophen-3-ylindolizine-2-carboxylate?
The IUPAC name of methyl 5-thiophen-3-ylindolizine-2-carboxylate (CID 141360977) is methyl 5-thiophen-3-ylindolizine-2-carboxylate.
What is the SMILES notation for methyl 5-thiophen-3-ylindolizine-2-carboxylate?
The canonical SMILES for methyl 5-thiophen-3-ylindolizine-2-carboxylate is COC(=O)c1cc2cccc(-c3ccsc3)n2c1.
What is the InChIKey of methyl 5-thiophen-3-ylindolizine-2-carboxylate?
The InChIKey is DCRDWSHVWOYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-14(16)11-7-12-3-2-4-13(15(12)8-11)10-5-6-18-9-10/h2-9H,1H3.
What are the key properties of methyl 5-thiophen-3-ylindolizine-2-carboxylate?
methyl 5-thiophen-3-ylindolizine-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 5-thiophen-3-ylindolizine-2-carboxylate is sourced from PubChem (CID 141360977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).