1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C15H17N3O5 — CID 71944436

IUPAC1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H17N3O5/c1-23-13-5-4-11(18(21)22)7-12(13)16-15(20)9-6-14(19)17(8-9)10-2-3-10/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,20)
InChIKeyVLTOVHUNQOTVDH-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.55
Rot. Bonds5

About 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71944436) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71944436
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H17N3O5/c1-23-13-5-4-11(18(21)22)7-12(13)16-15(20)9-6-14(19)17(8-9)10-2-3-10/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,20)
InChIKeyVLTOVHUNQOTVDH-UHFFFAOYSA-N
XLogP1.55
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.55
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'}

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Related Compounds

1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257412
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17191894
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
N-(2-methoxy-4-nitrophenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108745144
N-(2-chloro-5-nitrophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17191888
1-tert-butyl-N-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081161
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
(3S)-1-cyclopropyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26008131

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 71944436) is 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VLTOVHUNQOTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-23-13-5-4-11(18(21)22)7-12(13)16-15(20)9-6-14(19)17(8-9)10-2-3-10/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,20).
What are the key properties of 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71944436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).