2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

C12H11NO2S — CID 6618894

IUPAC2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESO=C(O)c1c(-n2cccc2)sc2c1CCC2
InChIInChI=1S/C12H11NO2S/c14-12(15)10-8-4-3-5-9(8)16-11(10)13-6-1-2-7-13/h1-2,6-7H,3-5H2,(H,14,15)
InChIKeyAFUGGWFQZJEYCV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.73
Rot. Bonds2

About 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (PubChem CID 6618894) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
PubChem CID6618894
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESO=C(O)c1c(-n2cccc2)sc2c1CCC2
InChIInChI=1S/C12H11NO2S/c14-12(15)10-8-4-3-5-9(8)16-11(10)13-6-1-2-7-13/h1-2,6-7H,3-5H2,(H,14,15)
InChIKeyAFUGGWFQZJEYCV-UHFFFAOYSA-N
XLogP2.73
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The IUPAC name of 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (CID 6618894) is 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The canonical SMILES for 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is O=C(O)c1c(-n2cccc2)sc2c1CCC2.
What is the InChIKey of 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The InChIKey is AFUGGWFQZJEYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12(15)10-8-4-3-5-9(8)16-11(10)13-6-1-2-7-13/h1-2,6-7H,3-5H2,(H,14,15).
What are the key properties of 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is sourced from PubChem (CID 6618894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).