2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid

C13H11NO3 — CID 14611896

IUPAC2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid
SMILESO=C(O)Cc1cc[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C13H11NO3/c15-11(16)8-10-6-7-14-12(10)13(17)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,15,16)
InChIKeyARCVDIWZCATVKL-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.87
Rot. Bonds4

About 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid

2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid (PubChem CID 14611896) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid
PubChem CID14611896
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid
SMILESO=C(O)Cc1cc[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C13H11NO3/c15-11(16)8-10-6-7-14-12(10)13(17)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,15,16)
InChIKeyARCVDIWZCATVKL-UHFFFAOYSA-N
XLogP1.87
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid?
The IUPAC name of 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid (CID 14611896) is 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid?
The canonical SMILES for 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid is O=C(O)Cc1cc[nH]c1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid?
The InChIKey is ARCVDIWZCATVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11(16)8-10-6-7-14-12(10)13(17)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,15,16).
What are the key properties of 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid?
2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid has a molecular weight of 229.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-1H-pyrrol-3-yl)acetic acid is sourced from PubChem (CID 14611896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).