5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid

C13H12FNO3 — CID 117375436

IUPAC5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)ccc3ccoc23)C1
InChIInChI=1S/C13H12FNO3/c14-9-2-1-7-3-4-18-12(7)11(9)10-5-8(6-15-10)13(16)17/h1-4,8,10,15H,5-6H2,(H,16,17)
InChIKeyVCAHMXJVVSKWTL-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.31
Rot. Bonds2

About 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid

5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117375436) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid
PubChem CID117375436
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)ccc3ccoc23)C1
InChIInChI=1S/C13H12FNO3/c14-9-2-1-7-3-4-18-12(7)11(9)10-5-8(6-15-10)13(16)17/h1-4,8,10,15H,5-6H2,(H,16,17)
InChIKeyVCAHMXJVVSKWTL-UHFFFAOYSA-N
XLogP2.31
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-furo[2,3-f][1]benzofuran-4-ylpyrrolidine-3-carboxylic acid
CID 117430705
5-(1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid
CID 115006629
5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117326291
5-(2-chloro-3,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117408913
5-(3-bromo-2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491075
5-(6-fluoro-2-methoxy-3-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117385648
5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
CID 117416809
5-(4-carboxy-2,3,5,6-tetrafluorophenyl)pyrrolidine-3-carboxylic acid
CID 117492218
5-(6-chloro-2-hydroxynaphthalen-1-yl)pyrrolidine-3-carboxylic acid
CID 117471138
5-[2,6-difluoro-3-(methoxymethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117430658
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid (CID 117375436) is 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2c(F)ccc3ccoc23)C1.
What is the InChIKey of 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is VCAHMXJVVSKWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c14-9-2-1-7-3-4-18-12(7)11(9)10-5-8(6-15-10)13(16)17/h1-4,8,10,15H,5-6H2,(H,16,17).
What are the key properties of 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid?
5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117375436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).