3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione

C14H18N2O2 — CID 44585355

IUPAC3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccccc2C)C1=O
InChIInChI=1S/C14H18N2O2/c1-4-14(3)9-12(17)16(13(14)18)15-11-8-6-5-7-10(11)2/h5-8,15H,4,9H2,1-3H3
InChIKeyOWOCFMCZZJGREH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.50
Rot. Bonds3

About 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione

3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione (PubChem CID 44585355) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione
PubChem CID44585355
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccccc2C)C1=O
InChIInChI=1S/C14H18N2O2/c1-4-14(3)9-12(17)16(13(14)18)15-11-8-6-5-7-10(11)2/h5-8,15H,4,9H2,1-3H3
InChIKeyOWOCFMCZZJGREH-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-o-Tolylamino-pyrrole-2,5-dione
CID 843308
4-methyl-N'-(2-methylphenyl)pentanehydrazide
CID 11955729
N'-(2-methylphenyl)heptanehydrazide
CID 11955771
1-methyl-N'-(2-methylphenyl)cyclohexane-1-carbohydrazide
CID 11955881
3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione
CID 43555
2,5-Pyrrolidinedione, 1-(phenylamino)-
CID 97064
1-Anilino-3,3-dimethylpyrrolidine-2,5-dione
CID 264240
3-Phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 2826181
2-Azaspiro[4.4]nonane-1,3-dione, 2-(phenylamino)-
CID 11368541
2-Anilino-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 25014798
3,3-Dimethyl-1-(4-methylanilino)pyrrolidine-2,5-dione
CID 44576473
1-Anilino-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 44585354

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione (CID 44585355) is 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione is CCC1(C)CC(=O)N(Nc2ccccc2C)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is OWOCFMCZZJGREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-14(3)9-12(17)16(13(14)18)15-11-8-6-5-7-10(11)2/h5-8,15H,4,9H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione?
3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 44585355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).