2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid

C12H11NO2 — CID 22326472

IUPAC2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc[nH]2)c1
InChIInChI=1S/C12H11NO2/c14-12(15)8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7,13H,8H2,(H,14,15)
InChIKeyQPFDRRBQODFTLJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.31
Rot. Bonds3

About 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid

2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid (PubChem CID 22326472) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid
PubChem CID22326472
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc[nH]2)c1
InChIInChI=1S/C12H11NO2/c14-12(15)8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7,13H,8H2,(H,14,15)
InChIKeyQPFDRRBQODFTLJ-UHFFFAOYSA-N
XLogP2.31
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid (CID 22326472) is 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccc[nH]2)c1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid?
The InChIKey is QPFDRRBQODFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7,13H,8H2,(H,14,15).
What are the key properties of 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid?
2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)phenyl]acetic acid is sourced from PubChem (CID 22326472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).