3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

C10H9NO2S — CID 135385898

IUPAC3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2scc(C3CC3)c2[nH]1
InChIInChI=1S/C10H9NO2S/c12-10(13)7-3-8-9(11-7)6(4-14-8)5-1-2-5/h3-5,11H,1-2H2,(H,12,13)
InChIKeyHWEAKUIZLNJDOD-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.81
Rot. Bonds2

About 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 135385898) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID135385898
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2scc(C3CC3)c2[nH]1
InChIInChI=1S/C10H9NO2S/c12-10(13)7-3-8-9(11-7)6(4-14-8)5-1-2-5/h3-5,11H,1-2H2,(H,12,13)
InChIKeyHWEAKUIZLNJDOD-UHFFFAOYSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (CID 135385898) is 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2scc(C3CC3)c2[nH]1.
What is the InChIKey of 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is HWEAKUIZLNJDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-10(13)7-3-8-9(11-7)6(4-14-8)5-1-2-5/h3-5,11H,1-2H2,(H,12,13).
What are the key properties of 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 135385898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).