5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide

C17H16N4O2 — CID 168697851

IUPAC5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H16N4O2/c18-17(23)12-10-16(22)21(11-12)15-8-6-14(7-9-15)20-19-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,18,23)/b20-19+
InChIKeyKNMCGJMTVLGNPS-FMQUCBEESA-N
MW308.34 g/mol
LogP2.94
Rot. Bonds4

About 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide

5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 168697851) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
PubChem CID168697851
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H16N4O2/c18-17(23)12-10-16(22)21(11-12)15-8-6-14(7-9-15)20-19-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,18,23)/b20-19+
InChIKeyKNMCGJMTVLGNPS-FMQUCBEESA-N
XLogP2.94
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 138111840
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879059
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168602367
3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
CID 168698330
1-[4-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide (CID 168697851) is 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1.
What is the InChIKey of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KNMCGJMTVLGNPS-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16N4O2/c18-17(23)12-10-16(22)21(11-12)15-8-6-14(7-9-15)20-19-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,18,23)/b20-19+.
What are the key properties of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).