4-(4-nitrophenyl)pyrrolidine-2,3,5-trione

C10H6N2O5 — CID 117060490

IUPAC4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
SMILESO=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C10H6N2O5/c13-8-7(9(14)11-10(8)15)5-1-3-6(4-2-5)12(16)17/h1-4,7H,(H,11,14,15)
InChIKeyMSRWHQLJQCSCKJ-UHFFFAOYSA-N
MW234.17 g/mol
LogP-0.10
Rot. Bonds2

About 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione

4-(4-nitrophenyl)pyrrolidine-2,3,5-trione (PubChem CID 117060490) has the molecular formula C10H6N2O5 and a molecular weight of 234.17 g/mol. Its IUPAC name is 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione.

Molecular Properties

Compound Name4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
PubChem CID117060490
Molecular FormulaC10H6N2O5
Molecular Weight234.17 g/mol
Exact Mass234.03
IUPAC Name4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
SMILESO=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C10H6N2O5/c13-8-7(9(14)11-10(8)15)5-1-3-6(4-2-5)12(16)17/h1-4,7H,(H,11,14,15)
InChIKeyMSRWHQLJQCSCKJ-UHFFFAOYSA-N
XLogP-0.10
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
9-(4-nitrophenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-5,7,11,13-tetrone
CID 44623462
4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
CID 67815214
4-(4-nitrophenyl)piperidine-2,6-dione
CID 53426303
2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 4111258
5-(4-nitrophenyl)-5H-tetrazole
CID 174394321
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
methanamine;4-nitroaniline
CID 22708932
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
2,5-bis(4-nitrophenyl)pyrrolidine-3,3,4,4-tetracarbonitrile
CID 15317678

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione?
The IUPAC name of 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione (CID 117060490) is 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione.
What is the SMILES notation for 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione?
The canonical SMILES for 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione is O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione?
The InChIKey is MSRWHQLJQCSCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O5/c13-8-7(9(14)11-10(8)15)5-1-3-6(4-2-5)12(16)17/h1-4,7H,(H,11,14,15).
What are the key properties of 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione?
4-(4-nitrophenyl)pyrrolidine-2,3,5-trione has a molecular weight of 234.17 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)pyrrolidine-2,3,5-trione is sourced from PubChem (CID 117060490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).