2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid

C13H13NO2 — CID 86149877

IUPAC2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid
SMILESCn1cc(-c2ccccc2)cc1CC(=O)O
InChIInChI=1S/C13H13NO2/c1-14-9-11(7-12(14)8-13(15)16)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyMTZXIOYKSTUBQK-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.32
Rot. Bonds3

About 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid

2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid (PubChem CID 86149877) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid
PubChem CID86149877
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid
SMILESCn1cc(-c2ccccc2)cc1CC(=O)O
InChIInChI=1S/C13H13NO2/c1-14-9-11(7-12(14)8-13(15)16)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyMTZXIOYKSTUBQK-UHFFFAOYSA-N
XLogP2.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid?
The IUPAC name of 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid (CID 86149877) is 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid is Cn1cc(-c2ccccc2)cc1CC(=O)O.
What is the InChIKey of 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid?
The InChIKey is MTZXIOYKSTUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-9-11(7-12(14)8-13(15)16)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid?
2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid has a molecular weight of 215.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid is sourced from PubChem (CID 86149877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).