3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione

C10H9N3O4 — CID 3749980

IUPAC3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESNC1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C10H9N3O4/c11-8-5-9(14)12(10(8)15)6-1-3-7(4-2-6)13(16)17/h1-4,8H,5,11H2
InChIKeyUZSPTZBSWXIJBI-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.19
Rot. Bonds2

About 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione

3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 3749980) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID3749980
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESNC1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C10H9N3O4/c11-8-5-9(14)12(10(8)15)6-1-3-7(4-2-6)13(16)17/h1-4,8H,5,11H2
InChIKeyUZSPTZBSWXIJBI-UHFFFAOYSA-N
XLogP0.19
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione (CID 3749980) is 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione is NC1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is UZSPTZBSWXIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c11-8-5-9(14)12(10(8)15)6-1-3-7(4-2-6)13(16)17/h1-4,8H,5,11H2.
What are the key properties of 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 235.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3749980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).