N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide

C11H11N3O4 — CID 3260294

IUPACN-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C11H11N3O4/c15-10-6-5-9(13-10)11(16)12-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6H2,(H,12,16)(H,13,15)
InChIKeyHGNBEWLBSCSJGV-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.81
Rot. Bonds3

About N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide

N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3260294) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3260294
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C11H11N3O4/c15-10-6-5-9(13-10)11(16)12-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6H2,(H,12,16)(H,13,15)
InChIKeyHGNBEWLBSCSJGV-UHFFFAOYSA-N
XLogP0.81
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide (CID 3260294) is N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)N1.
What is the InChIKey of N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HGNBEWLBSCSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-10-6-5-9(13-10)11(16)12-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6H2,(H,12,16)(H,13,15).
What are the key properties of N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide?
N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3260294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).