5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid

C15H13NO4 — CID 117430705

IUPAC5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c3ccoc3cc3ccoc23)C1
InChIInChI=1S/C15H13NO4/c17-15(18)9-5-11(16-7-9)13-10-2-4-19-12(10)6-8-1-3-20-14(8)13/h1-4,6,9,11,16H,5,7H2,(H,17,18)
InChIKeyVTKCTCKLAACRQQ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.91
Rot. Bonds2

About 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid

5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid (PubChem CID 117430705) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid
PubChem CID117430705
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c3ccoc3cc3ccoc23)C1
InChIInChI=1S/C15H13NO4/c17-15(18)9-5-11(16-7-9)13-10-2-4-19-12(10)6-8-1-3-20-14(8)13/h1-4,6,9,11,16H,5,7H2,(H,17,18)
InChIKeyVTKCTCKLAACRQQ-UHFFFAOYSA-N
XLogP2.91
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid (CID 117430705) is 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2c3ccoc3cc3ccoc23)C1.
What is the InChIKey of 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid?
The InChIKey is VTKCTCKLAACRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-15(18)9-5-11(16-7-9)13-10-2-4-19-12(10)6-8-1-3-20-14(8)13/h1-4,6,9,11,16H,5,7H2,(H,17,18).
What are the key properties of 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid?
5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117430705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).