3-(2-ethylanilino)pyrrolidine-2,5-dione

C12H14N2O2 — CID 43637713

IUPAC3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1NC1CC(=O)NC1=O
InChIInChI=1S/C12H14N2O2/c1-2-8-5-3-4-6-9(8)13-10-7-11(15)14-12(10)16/h3-6,10,13H,2,7H2,1H3,(H,14,15,16)
InChIKeyUITQRLTZEUAZKH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.08
Rot. Bonds3

About 3-(2-ethylanilino)pyrrolidine-2,5-dione

3-(2-ethylanilino)pyrrolidine-2,5-dione (PubChem CID 43637713) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-ethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-ethylanilino)pyrrolidine-2,5-dione
PubChem CID43637713
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1NC1CC(=O)NC1=O
InChIInChI=1S/C12H14N2O2/c1-2-8-5-3-4-6-9(8)13-10-7-11(15)14-12(10)16/h3-6,10,13H,2,7H2,1H3,(H,14,15,16)
InChIKeyUITQRLTZEUAZKH-UHFFFAOYSA-N
XLogP1.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylsulfanylanilino)pyrrolidine-2,5-dione
CID 54866785
3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 107644178
2-[(2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637695
3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione
CID 43637781
3-(2-prop-2-enylsulfanylanilino)pyrrolidine-2,5-dione
CID 54866863
3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
CID 43637754
3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
CID 65467432
3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione
CID 54867459
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
CID 170953285
3-(2,6-dibromoanilino)pyrrolidine-2,5-dione
CID 107598662
3-(4-butylanilino)pyrrolidine-2,5-dione
CID 43637893

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-ethylanilino)pyrrolidine-2,5-dione (CID 43637713) is 3-(2-ethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-ethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-ethylanilino)pyrrolidine-2,5-dione is CCc1ccccc1NC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-ethylanilino)pyrrolidine-2,5-dione?
The InChIKey is UITQRLTZEUAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-8-5-3-4-6-9(8)13-10-7-11(15)14-12(10)16/h3-6,10,13H,2,7H2,1H3,(H,14,15,16).
What are the key properties of 3-(2-ethylanilino)pyrrolidine-2,5-dione?
3-(2-ethylanilino)pyrrolidine-2,5-dione has a molecular weight of 218.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).