5-phenyl-1H-pyrrole-3-carboxylic acid

C11H9NO2 — CID 10035363

IUPAC5-phenyl-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C11H9NO2/c13-11(14)9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKeyWAFBZFQDBQWSHS-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.38
Rot. Bonds2

About 5-phenyl-1H-pyrrole-3-carboxylic acid

5-phenyl-1H-pyrrole-3-carboxylic acid (PubChem CID 10035363) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-phenyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-1H-pyrrole-3-carboxylic acid
PubChem CID10035363
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name5-phenyl-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C11H9NO2/c13-11(14)9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKeyWAFBZFQDBQWSHS-UHFFFAOYSA-N
XLogP2.38
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-phenyl-1H-pyrrole-3-carboxylic acid (CID 10035363) is 5-phenyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-phenyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-phenyl-1H-pyrrole-3-carboxylic acid is O=C(O)c1c[nH]c(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is WAFBZFQDBQWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11(14)9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7,12H,(H,13,14).
What are the key properties of 5-phenyl-1H-pyrrole-3-carboxylic acid?
5-phenyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 10035363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).