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

C15H12N2O4 — CID 5219260

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C15H12N2O4/c16-8-11-4-1-2-6-14(11)20-10-15(19)21-9-13(18)12-5-3-7-17-12/h1-7,17H,9-10H2
InChIKeyIZBSSTWRUFNROD-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.69
Rot. Bonds6

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

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 5219260) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate
PubChem CID5219260
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C15H12N2O4/c16-8-11-4-1-2-6-14(11)20-10-15(19)21-9-13(18)12-5-3-7-17-12/h1-7,17H,9-10H2
InChIKeyIZBSSTWRUFNROD-UHFFFAOYSA-N
XLogP1.69
TPSA92.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate (CID 5219260) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is IZBSSTWRUFNROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c16-8-11-4-1-2-6-14(11)20-10-15(19)21-9-13(18)12-5-3-7-17-12/h1-7,17H,9-10H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 284.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 5219260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).