2-thiophen-2-ylindolizine-1-carboxylic acid

C13H9NO2S — CID 3992519

IUPAC2-thiophen-2-ylindolizine-1-carboxylic acid
SMILESO=C(O)c1c(-c2cccs2)cn2ccccc12
InChIInChI=1S/C13H9NO2S/c15-13(16)12-9(11-5-3-7-17-11)8-14-6-2-1-4-10(12)14/h1-8H,(H,15,16)
InChIKeyPGHCZKFGYQTGIK-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.37
Rot. Bonds2

About 2-thiophen-2-ylindolizine-1-carboxylic acid

2-thiophen-2-ylindolizine-1-carboxylic acid (PubChem CID 3992519) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-thiophen-2-ylindolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-ylindolizine-1-carboxylic acid
PubChem CID3992519
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name2-thiophen-2-ylindolizine-1-carboxylic acid
SMILESO=C(O)c1c(-c2cccs2)cn2ccccc12
InChIInChI=1S/C13H9NO2S/c15-13(16)12-9(11-5-3-7-17-11)8-14-6-2-1-4-10(12)14/h1-8H,(H,15,16)
InChIKeyPGHCZKFGYQTGIK-UHFFFAOYSA-N
XLogP3.37
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53224798
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CID 3360201
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5-iodo-2-thiophen-2-ylbenzoic acid
CID 10087991
ethyl 4-oxo-2-thiophen-2-ylquinolizine-1-carboxylate
CID 138971000
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
2-thiophen-2-ylindole-1-carboxylic acid
CID 135007701
3-thiophen-2-ylfuran-2-carboxylic acid
CID 8893249
2-thiophen-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 54973406
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylindolizine-1-carboxylic acid?
The IUPAC name of 2-thiophen-2-ylindolizine-1-carboxylic acid (CID 3992519) is 2-thiophen-2-ylindolizine-1-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-ylindolizine-1-carboxylic acid?
The canonical SMILES for 2-thiophen-2-ylindolizine-1-carboxylic acid is O=C(O)c1c(-c2cccs2)cn2ccccc12.
What is the InChIKey of 2-thiophen-2-ylindolizine-1-carboxylic acid?
The InChIKey is PGHCZKFGYQTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-13(16)12-9(11-5-3-7-17-11)8-14-6-2-1-4-10(12)14/h1-8H,(H,15,16).
What are the key properties of 2-thiophen-2-ylindolizine-1-carboxylic acid?
2-thiophen-2-ylindolizine-1-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylindolizine-1-carboxylic acid is sourced from PubChem (CID 3992519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).