1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione

C14H15NO2 — CID 174116959

IUPAC1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione
SMILESCCc1cc(C)c(N2C(=O)C=CC2=O)c(C)c1
InChIInChI=1S/C14H15NO2/c1-4-11-7-9(2)14(10(3)8-11)15-12(16)5-6-13(15)17/h5-8H,4H2,1-3H3
InChIKeyOQZIEZREGVNBOX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds2

About 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione

1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 174116959) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione
PubChem CID174116959
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione
SMILESCCc1cc(C)c(N2C(=O)C=CC2=O)c(C)c1
InChIInChI=1S/C14H15NO2/c1-4-11-7-9(2)14(10(3)8-11)15-12(16)5-6-13(15)17/h5-8H,4H2,1-3H3
InChIKeyOQZIEZREGVNBOX-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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

1-(2,6-diethyl-4-methylphenyl)pyrrole-2,5-dione
CID 141355861
1-(2-ethyl-4-methylnaphthalen-1-yl)pyrrole-2,5-dione
CID 166071056
1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione;1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-phenylpyrrole-2,5-dione
CID 159340725
1-[2,6-dimethyl-4-[[3-methyl-5-(methylamino)-4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]methyl]phenyl]-5-methylidenepyrrol-2-one
CID 175614008
1-(2,6-dibromo-4-propylphenyl)pyrrole-2,5-dione
CID 159715556
1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylsulfonylphenyl]methyl]-2-ethyl-6-methylsulfonylphenyl]pyrrole-2,5-dione
CID 71251816
6-ethyl-2,4-dimethylisoindole-1,3-dione
CID 170003008
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
1-[5-ethyl-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
CID 68742064
N-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrol-3-yl]-N-methylacetamide
CID 129182651
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione (CID 174116959) is 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione is CCc1cc(C)c(N2C(=O)C=CC2=O)c(C)c1.
What is the InChIKey of 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is OQZIEZREGVNBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-11-7-9(2)14(10(3)8-11)15-12(16)5-6-13(15)17/h5-8H,4H2,1-3H3.
What are the key properties of 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione?
1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,6-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 174116959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).