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

C10H8N2O4 — CID 3050262

IUPAC3-(3-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)C(=O)N1
InChIInChI=1S/C10H8N2O4/c13-9-5-8(10(14)11-9)6-2-1-3-7(4-6)12(15)16/h1-4,8H,5H2,(H,11,13,14)
InChIKeyBWMWRGLTQLLNSF-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.72
Rot. Bonds2

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

3-(3-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 3050262) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-(3-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID3050262
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name3-(3-nitrophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)C(=O)N1
InChIInChI=1S/C10H8N2O4/c13-9-5-8(10(14)11-9)6-2-1-3-7(4-6)12(15)16/h1-4,8H,5H2,(H,11,13,14)
InChIKeyBWMWRGLTQLLNSF-UHFFFAOYSA-N
XLogP0.72
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-nitrophenyl)pyrrolidine-2,5-dione (CID 3050262) is 3-(3-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-nitrophenyl)pyrrolidine-2,5-dione is O=C1CC(c2cccc([N+](=O)[O-])c2)C(=O)N1.
What is the InChIKey of 3-(3-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is BWMWRGLTQLLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-9-5-8(10(14)11-9)6-2-1-3-7(4-6)12(15)16/h1-4,8H,5H2,(H,11,13,14).
What are the key properties of 3-(3-nitrophenyl)pyrrolidine-2,5-dione?
3-(3-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 220.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3050262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).