1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione

C16H21N3O2 — CID 63179546

IUPAC1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(N3CCCC3)cc2)C1=O
InChIInChI=1S/C16H21N3O2/c1-2-19-15(20)11-14(16(19)21)17-12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,14,17H,2-4,9-11H2,1H3
InChIKeyJUZFMWLYXOIAGR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.85
Rot. Bonds4

About 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione

1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione (PubChem CID 63179546) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
PubChem CID63179546
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(N3CCCC3)cc2)C1=O
InChIInChI=1S/C16H21N3O2/c1-2-19-15(20)11-14(16(19)21)17-12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,14,17H,2-4,9-11H2,1H3
InChIKeyJUZFMWLYXOIAGR-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-butyl-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione
CID 7366431
(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2242316
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
1-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54867303
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
3-(4-bromo-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411448
4-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]benzene-1,2-dicarbonitrile
CID 107788732
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43636158
1-ethyl-3-[4-(1,3-thiazol-2-yl)anilino]pyrrolidine-2,5-dione
CID 60934094
1-ethyl-3-(1H-pyrazol-4-ylamino)pyrrolidine-2,5-dione
CID 43636804
1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione
CID 43411357
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione (CID 63179546) is 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2ccc(N3CCCC3)cc2)C1=O.
What is the InChIKey of 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is JUZFMWLYXOIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19-15(20)11-14(16(19)21)17-12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,14,17H,2-4,9-11H2,1H3.
What are the key properties of 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione?
1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63179546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).