2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid

C11H12N2O3 — CID 137035148

IUPAC2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid
SMILESCC(=N/N=C(\C)c1ccccc1O)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-7(12-13-8(2)11(15)16)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,15,16)/b12-7+,13-8?
InChIKeyGSYRQRFXJPEFIH-QLQROWNFSA-N
MW220.23 g/mol
LogP1.66
Rot. Bonds3

About 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid

2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid (PubChem CID 137035148) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid.

Molecular Properties

Compound Name2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid
PubChem CID137035148
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid
SMILESCC(=N/N=C(\C)c1ccccc1O)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-7(12-13-8(2)11(15)16)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,15,16)/b12-7+,13-8?
InChIKeyGSYRQRFXJPEFIH-QLQROWNFSA-N
XLogP1.66
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
2-[C-methyl-N-(1-phenylethylideneamino)carbonimidoyl]benzoic acid
CID 90730243
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
CID 177416207
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
2-[(E)-N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbonimidoyl]disulfanyl]methylidene]amino]-C-methylcarbonimidoyl]phenol
CID 139087967
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
lithium;2-hydroxybenzoate;oxalic acid
CID 172798390

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid?
The IUPAC name of 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid (CID 137035148) is 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid.
What is the SMILES notation for 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid?
The canonical SMILES for 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid is CC(=N/N=C(\C)c1ccccc1O)C(=O)O.
What is the InChIKey of 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid?
The InChIKey is GSYRQRFXJPEFIH-QLQROWNFSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(12-13-8(2)11(15)16)9-5-3-4-6-10(9)14/h3-6,14H,1-2H3,(H,15,16)/b12-7+,13-8?.
What are the key properties of 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid?
2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(2-hydroxyphenyl)ethylidenehydrazinylidene]propanoic acid is sourced from PubChem (CID 137035148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).