(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid

C16H14N2O6 — CID 7789595

IUPAC(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
SMILESO=C(O)CC/C(=N\NC(=O)c1cc2ccccc2cc1O)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)/b17-12+
InChIKeyQAQBPIRKEXIQAS-SFQUDFHCSA-N
MW330.30 g/mol
LogP1.58
Rot. Bonds6

About (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid

(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid (PubChem CID 7789595) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid.

Molecular Properties

Compound Name(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
PubChem CID7789595
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Name(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
SMILESO=C(O)CC/C(=N\NC(=O)c1cc2ccccc2cc1O)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)/b17-12+
InChIKeyQAQBPIRKEXIQAS-SFQUDFHCSA-N
XLogP1.58
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid 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

(4E)-5-hydroxy-4-[(3-oxidonaphthalene-2-carbonyl)hydrazinylidene]-5-oxopentanoate
CID 54697775
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 141213886
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3377350
N-[(E)-[(5S)-9-(dibenzylamino)-5-ethyl-6,9-dioxononan-4-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 98296801
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 17385865

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid?
The IUPAC name of (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid (CID 7789595) is (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid.
What is the SMILES notation for (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid?
The canonical SMILES for (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid is O=C(O)CC/C(=N\NC(=O)c1cc2ccccc2cc1O)C(=O)O.
What is the InChIKey of (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid?
The InChIKey is QAQBPIRKEXIQAS-SFQUDFHCSA-N. 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)/b17-12+.
What are the key properties of (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid?
(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid has a molecular weight of 330.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid is sourced from PubChem (CID 7789595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).