1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C17H21N3O4 — CID 2883369

IUPAC1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21N3O4/c21-16-9-12(11-19(16)14-6-2-1-3-7-14)17(22)18-13-5-4-8-15(10-13)20(23)24/h4-5,8,10,12,14H,1-3,6-7,9,11H2,(H,18,22)
InChIKeyFISAEQLGNNVXOB-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.71
Rot. Bonds4

About 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2883369) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2883369
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21N3O4/c21-16-9-12(11-19(16)14-6-2-1-3-7-14)17(22)18-13-5-4-8-15(10-13)20(23)24/h4-5,8,10,12,14H,1-3,6-7,9,11H2,(H,18,22)
InChIKeyFISAEQLGNNVXOB-UHFFFAOYSA-N
XLogP2.71
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.71
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'}

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Related Compounds

N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-benzyl-N'-(3-nitrophenyl)butanediamide
CID 971302
N-cyclohexyl-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883680
N-(3-nitrophenyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide
CID 2925642
N-(4-nitrophenyl)-4-oxo-4-(pyrrolidin-1-yl)butanamide
CID 2976693
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
N-(4-chloro-3-nitrophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 2921921
4-Pyrrolidinecarboxamide, N-(tert-butyl)-2-oxo-1-phenyl
CID 217786
1-(3-Nitrophenyl)pyrrolidin-2-one
CID 1512870
1-cyclohexyl-N-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2984958
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3161308

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2883369) is 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FISAEQLGNNVXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-16-9-12(11-19(16)14-6-2-1-3-7-14)17(22)18-13-5-4-8-15(10-13)20(23)24/h4-5,8,10,12,14H,1-3,6-7,9,11H2,(H,18,22).
What are the key properties of 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2883369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).