1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione

C13H16N2O2 — CID 3249907

IUPAC1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(NCN2C(=O)CCC2=O)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-9-3-4-11(10(2)7-9)14-8-15-12(16)5-6-13(15)17/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyKMARDOGJSWHEHU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.82
Rot. Bonds3

About 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione

1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione (PubChem CID 3249907) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione
PubChem CID3249907
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(NCN2C(=O)CCC2=O)c(C)c1
InChIInChI=1S/C13H16N2O2/c1-9-3-4-11(10(2)7-9)14-8-15-12(16)5-6-13(15)17/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyKMARDOGJSWHEHU-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.82
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

2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
(3aS,7aR)-2-[(2,5-dimethylanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2247789
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 4910885
3-(2,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 17420290
5-(1,3-benzodioxol-5-ylmethylidene)-3-[(2,4-dimethylanilino)methyl]-1,3-thiazolidine-2,4-dione
CID 4240398
4-[(2,5-dimethylanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3116626
1-[2-(2,4-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130524
1-(2,4-dimethylanilino)-2-methylbutan-2-ol
CID 114492467
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014671
1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione
CID 748195
2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 2148314

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione (CID 3249907) is 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione is Cc1ccc(NCN2C(=O)CCC2=O)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione?
The InChIKey is KMARDOGJSWHEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-3-4-11(10(2)7-9)14-8-15-12(16)5-6-13(15)17/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione?
1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylanilino)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3249907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).