6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid

C14H11NO3 — CID 23825260

IUPAC6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2ccoc2n1Cc1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(17)12-8-11-6-7-18-13(11)15(12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyOKACXVYOWZNEND-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.98
Rot. Bonds3

About 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid

6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid (PubChem CID 23825260) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid
PubChem CID23825260
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2ccoc2n1Cc1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(17)12-8-11-6-7-18-13(11)15(12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyOKACXVYOWZNEND-UHFFFAOYSA-N
XLogP2.98
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid?
The IUPAC name of 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid (CID 23825260) is 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2ccoc2n1Cc1ccccc1.
What is the InChIKey of 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid?
The InChIKey is OKACXVYOWZNEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)12-8-11-6-7-18-13(11)15(12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid?
6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 23825260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).