3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

C15H11NO2S — CID 174593850

IUPAC3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2scc(C=Cc3ccccc3)c2[nH]1
InChIInChI=1S/C15H11NO2S/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)
InChIKeyNRGOAWUNEZPEIY-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.10
Rot. Bonds3

About 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 174593850) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID174593850
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2scc(C=Cc3ccccc3)c2[nH]1
InChIInChI=1S/C15H11NO2S/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)
InChIKeyNRGOAWUNEZPEIY-UHFFFAOYSA-N
XLogP4.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 135385898
ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648476
acetic acid;stilbene
CID 172803728
5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
CID 115007388
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
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CID 126718313
4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione
CID 54395958
benzoic acid;1,3-dimethyl-5-(2-phenylethenyl)benzene
CID 174874153
2-bromo-4-(2-phenylethenyl)benzoic acid
CID 57235954
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
4-amino-3-(2-phenylethenyl)benzoyl chloride
CID 174665698
2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
CID 67279232

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (CID 174593850) is 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2scc(C=Cc3ccccc3)c2[nH]1.
What is the InChIKey of 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is NRGOAWUNEZPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,17,18).
What are the key properties of 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 174593850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).