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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Related Compounds

3-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 167496061
1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 134092663
ethane;3-methoxy-1-phenyl-2H-pyrrol-5-one
CID 90934034
N-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 87986602
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 2976154
(3aR,6aR)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 2231360
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
(5R)-4-(2-ethoxypyridine-3-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580033
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133484160
(4aS,7aR)-4-(4-ethoxyphenyl)-1-(4-methylphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 42271223
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421

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).