3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one

C13H15NO2 — CID 848849

IUPAC3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C13H15NO2/c1-3-16-12-8-13(15)14(9-12)11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3
InChIKeyAUTQNRQIXSHISE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.26
Rot. Bonds3

About 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one

3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 848849) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID848849
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C13H15NO2/c1-3-16-12-8-13(15)14(9-12)11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3
InChIKeyAUTQNRQIXSHISE-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one (CID 848849) is 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one is CCOC1=CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is AUTQNRQIXSHISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-16-12-8-13(15)14(9-12)11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 217.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 848849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).