[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate

C15H15NO4 — CID 4796279

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C15H15NO4/c1-11-5-2-3-7-14(11)19-10-15(18)20-9-13(17)12-6-4-8-16-12/h2-8,16H,9-10H2,1H3
InChIKeyZLFPIEPQYONJQY-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.13
Rot. Bonds6

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate (PubChem CID 4796279) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate
PubChem CID4796279
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C15H15NO4/c1-11-5-2-3-7-14(11)19-10-15(18)20-9-13(17)12-6-4-8-16-12/h2-8,16H,9-10H2,1H3
InChIKeyZLFPIEPQYONJQY-UHFFFAOYSA-N
XLogP2.13
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate (CID 4796279) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is ZLFPIEPQYONJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11-5-2-3-7-14(11)19-10-15(18)20-9-13(17)12-6-4-8-16-12/h2-8,16H,9-10H2,1H3.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 273.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 4796279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).