5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid

C17H15N3O3 — CID 168691777

IUPAC5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H15N3O3/c21-16-10-12(17(22)23)11-20(16)15-8-6-14(7-9-15)19-18-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)/b19-18+
InChIKeyWOMOGULLTCMZSQ-VHEBQXMUSA-N
MW309.32 g/mol
LogP3.54
Rot. Bonds4

About 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 168691777) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID168691777
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H15N3O3/c21-16-10-12(17(22)23)11-20(16)15-8-6-14(7-9-15)19-18-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)/b19-18+
InChIKeyWOMOGULLTCMZSQ-VHEBQXMUSA-N
XLogP3.54
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.54
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-carboxamide
CID 168697851
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168602367
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168508906
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 22116008
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792451
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
CID 50873745

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid (CID 168691777) is 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1.
What is the InChIKey of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WOMOGULLTCMZSQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16-10-12(17(22)23)11-20(16)15-8-6-14(7-9-15)19-18-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)/b19-18+.
What are the key properties of 5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.54, 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-carboxylic acid is sourced from PubChem (CID 168691777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).