1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione

C13H15N3O4 — CID 43411357

IUPAC1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(C)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C13H15N3O4/c1-3-15-12(17)7-10(13(15)18)14-9-5-4-8(2)11(6-9)16(19)20/h4-6,10,14H,3,7H2,1-2H3
InChIKeyXQPKYHLSMINSBD-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.46
Rot. Bonds4

About 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione

1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione (PubChem CID 43411357) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione
PubChem CID43411357
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(C)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C13H15N3O4/c1-3-15-12(17)7-10(13(15)18)14-9-5-4-8(2)11(6-9)16(19)20/h4-6,10,14H,3,7H2,1-2H3
InChIKeyXQPKYHLSMINSBD-UHFFFAOYSA-N
XLogP1.46
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-3-nitroanilino)-1-propylpyrrolidine-2,5-dione
CID 43636508
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
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
3-ethoxy-2-N-(4-methyl-3-nitrophenyl)cyclobutane-1,2-diamine
CID 66196290
1-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54867303
3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione
CID 115377431
1-ethyl-3-(4-methyl-3-nitroanilino)pyrrole-2,5-dione
CID 16647853
1-N-(4-methyl-3-nitrophenyl)cyclopentane-1,2-diamine
CID 63252271
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43636158
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
1-ethyl-3-[(3-nitrophenyl)methylamino]pyrrolidine-2,5-dione
CID 62505760

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione (CID 43411357) is 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2ccc(C)c([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione?
The InChIKey is XQPKYHLSMINSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-3-15-12(17)7-10(13(15)18)14-9-5-4-8(2)11(6-9)16(19)20/h4-6,10,14H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione?
1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione has a molecular weight of 277.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43411357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).