N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

C16H14N4O5 — CID 3732864

IUPACN-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccccc2)C1C(=O)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H14N4O5/c21-15-14(12(9-17-15)10-4-2-1-3-5-10)16(22)19-18-8-11-6-7-13(25-11)20(23)24/h1-8,12,14H,9H2,(H,17,21)(H,19,22)
InChIKeyPLNNXJWQHDXJCI-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.17
Rot. Bonds5

About N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 3732864) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID3732864
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccccc2)C1C(=O)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H14N4O5/c21-15-14(12(9-17-15)10-4-2-1-3-5-10)16(22)19-18-8-11-6-7-13(25-11)20(23)24/h1-8,12,14H,9H2,(H,17,21)(H,19,22)
InChIKeyPLNNXJWQHDXJCI-UHFFFAOYSA-N
XLogP1.17
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6982371
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
(3S,4S)-N-[[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11879923
(3R,4R)-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7332702
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6159848
(3S,4R)-N-[(2-fluorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 869612
(3S,4R)-2-oxo-4-phenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 35796860
(3S,4S)-N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135714299
methyl 4-[[[(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbonyl]hydrazinylidene]methyl]benzoate
CID 7462860
(3R,4S)-2-oxo-4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 39858118
(3S,4R)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 5406050
(3R,4S)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7393389

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 3732864) is N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is O=C1NCC(c2ccccc2)C1C(=O)NN=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is PLNNXJWQHDXJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c21-15-14(12(9-17-15)10-4-2-1-3-5-10)16(22)19-18-8-11-6-7-13(25-11)20(23)24/h1-8,12,14H,9H2,(H,17,21)(H,19,22).
What are the key properties of N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3732864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).