3-phenyl-1H-pyrrole-2-carboxylic acid

C11H9NO2 — CID 52918364

IUPAC3-phenyl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1ccccc1
InChIInChI=1S/C11H9NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKeyJKPQOHQTACWXPF-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.38
Rot. Bonds2

About 3-phenyl-1H-pyrrole-2-carboxylic acid

3-phenyl-1H-pyrrole-2-carboxylic acid (PubChem CID 52918364) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-phenyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-1H-pyrrole-2-carboxylic acid
PubChem CID52918364
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-phenyl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1ccccc1
InChIInChI=1S/C11H9NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKeyJKPQOHQTACWXPF-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 3-phenyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-phenyl-1H-pyrrole-2-carboxylic acid (CID 52918364) is 3-phenyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-phenyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-phenyl-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]ccc1-c1ccccc1.
What is the InChIKey of 3-phenyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is JKPQOHQTACWXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14).
What are the key properties of 3-phenyl-1H-pyrrole-2-carboxylic acid?
3-phenyl-1H-pyrrole-2-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 3-phenyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 52918364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).