(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate

C16H12N2O6-2 — CID 54697775

IUPAC(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate
SMILESO=C([O-])CC/C(=N\NC(=O)c1cc2ccccc2cc1[O-])C(=O)O
InChIInChI=1S/C16H14N2O6/c19-13-8-10-4-2-1-3-9(10)7-11(13)15(22)18-17-12(16(23)24)5-6-14(20)21/h1-4,7-8,19H,5-6H2,(H,18,22)(H,20,21)(H,23,24)/p-2/b17-12+
InChIKeyQAQBPIRKEXIQAS-SFQUDFHCSA-L
MW328.28 g/mol
LogP-0.39
Rot. Bonds6

About (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate

(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate (PubChem CID 54697775) has the molecular formula C16H12N2O6-2 and a molecular weight of 328.28 g/mol. Its IUPAC name is (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate.

Molecular Properties

Compound Name(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate
PubChem CID54697775
Molecular FormulaC16H12N2O6-2
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Name(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate
SMILESO=C([O-])CC/C(=N\NC(=O)c1cc2ccccc2cc1[O-])C(=O)O
InChIInChI=1S/C16H14N2O6/c19-13-8-10-4-2-1-3-9(10)7-11(13)15(22)18-17-12(16(23)24)5-6-14(20)21/h1-4,7-8,19H,5-6H2,(H,18,22)(H,20,21)(H,23,24)/p-2/b17-12+
InChIKeyQAQBPIRKEXIQAS-SFQUDFHCSA-L
XLogP-0.39
TPSA141.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
CID 7789595
(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate
CID 7417343
(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
CID 7789598
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
calcium;bis(3-carboxynaphthalen-2-olate);trihydrate
CID 54746328
aluminum;3-oxidonaphthalene-2-carboxylate;hydroxide;hydrate
CID 101322218
(2E)-2-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]pentanedioate
CID 7859803
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
CID 7034789
(2E)-2-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]pentanedioic acid
CID 7859804
3-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]naphthalen-2-olate
CID 54724959
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343

Frequently Asked Questions

What is the IUPAC name of (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate?
The IUPAC name of (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate (CID 54697775) is (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate.
What is the SMILES notation for (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate?
The canonical SMILES for (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate is O=C([O-])CC/C(=N\NC(=O)c1cc2ccccc2cc1[O-])C(=O)O.
What is the InChIKey of (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate?
The InChIKey is QAQBPIRKEXIQAS-SFQUDFHCSA-L. The full InChI is InChI=1S/C16H14N2O6/c19-13-8-10-4-2-1-3-9(10)7-11(13)15(22)18-17-12(16(23)24)5-6-14(20)21/h1-4,7-8,19H,5-6H2,(H,18,22)(H,20,21)(H,23,24)/p-2/b17-12+.
What are the key properties of (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate?
(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate has a molecular weight of 328.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate is sourced from PubChem (CID 54697775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).