2-phenyl-2-pyrrol-1-ylacetic acid

C12H11NO2 — CID 2741447

IUPAC2-phenyl-2-pyrrol-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1)n1cccc1
InChIInChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)
InChIKeyFNRJAIIHCKGTCV-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.16
Rot. Bonds3

About 2-phenyl-2-pyrrol-1-ylacetic acid

2-phenyl-2-pyrrol-1-ylacetic acid (PubChem CID 2741447) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-phenyl-2-pyrrol-1-ylacetic acid.

Molecular Properties

Compound Name2-phenyl-2-pyrrol-1-ylacetic acid
PubChem CID2741447
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name2-phenyl-2-pyrrol-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1)n1cccc1
InChIInChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)
InChIKeyFNRJAIIHCKGTCV-UHFFFAOYSA-N
XLogP2.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetic acid
CID 767161
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
3-Pyridinebutanoic acid
CID 114
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
3-[1-(Carboxymethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid
CID 707445
2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid
CID 654761
3-Phenyl-2-(1-pyrrolyl)propanoic acid
CID 3245144
3-(1H-pyrrol-1-yl)benzoic acid
CID 736537
4-(1H-pyrrol-1-ylmethyl)benzoic acid
CID 957070
3-[1-(carboxymethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
CID 650632
Phenylpropanoic acid derivative, 33
CID 44263419
Phenylpropanoic acid derivative, 44
CID 44263422

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrol-1-ylacetic acid?
The IUPAC name of 2-phenyl-2-pyrrol-1-ylacetic acid (CID 2741447) is 2-phenyl-2-pyrrol-1-ylacetic acid.
What is the SMILES notation for 2-phenyl-2-pyrrol-1-ylacetic acid?
The canonical SMILES for 2-phenyl-2-pyrrol-1-ylacetic acid is O=C(O)C(c1ccccc1)n1cccc1.
What is the InChIKey of 2-phenyl-2-pyrrol-1-ylacetic acid?
The InChIKey is FNRJAIIHCKGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15).
What are the key properties of 2-phenyl-2-pyrrol-1-ylacetic acid?
2-phenyl-2-pyrrol-1-ylacetic acid has a molecular weight of 201.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrol-1-ylacetic acid is sourced from PubChem (CID 2741447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).