1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione

C14H15NO2 — CID 154290218

IUPAC1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione
SMILESCCC1=CC(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C14H15NO2/c1-4-11-8-13(16)15(14(11)17)12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3
InChIKeyNBCJZBYIDQTMNI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.51
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione

1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione (PubChem CID 154290218) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione
PubChem CID154290218
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione
SMILESCCC1=CC(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C14H15NO2/c1-4-11-8-13(16)15(14(11)17)12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3
InChIKeyNBCJZBYIDQTMNI-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1-(2,4-dimethylphenyl)-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574520
1,3-bis(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 5121465
1-(2,4-dimethylphenyl)-3-sulfanylidenepyrrolidine-2,5-dione
CID 45118559
ethyl 3-(2,4-dimethylphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 5350191
3-(2,4-dimethylphenyl)-5-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762948
3-(2,4-dimethylphenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
CID 11402401
1-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583379
4-(2,4-dimethylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 3844362
2-(2,4-dimethylphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 2844141
3-ethyl-1-methylpyrrole-2,5-dione
CID 45087813
1-(2-bromo-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 82756585

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione (CID 154290218) is 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione is CCC1=CC(=O)N(c2ccc(C)cc2C)C1=O.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione?
The InChIKey is NBCJZBYIDQTMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-11-8-13(16)15(14(11)17)12-6-5-9(2)7-10(12)3/h5-8H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione?
1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-ethylpyrrole-2,5-dione is sourced from PubChem (CID 154290218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).