(2E)-2-(benzoylhydrazinylidene)propanoic acid

C10H10N2O3 — CID 5399093

IUPAC(2E)-2-(benzoylhydrazinylidene)propanoic acid
SMILESC/C(=N\NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-7(10(14)15)11-12-9(13)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-7+
InChIKeyMPSXVYIPEZYZCR-YRNVUSSQSA-N
MW206.20 g/mol
LogP0.88
Rot. Bonds3

About (2E)-2-(benzoylhydrazinylidene)propanoic acid

(2E)-2-(benzoylhydrazinylidene)propanoic acid (PubChem CID 5399093) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2E)-2-(benzoylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name(2E)-2-(benzoylhydrazinylidene)propanoic acid
PubChem CID5399093
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(2E)-2-(benzoylhydrazinylidene)propanoic acid
SMILESC/C(=N\NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-7(10(14)15)11-12-9(13)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-7+
InChIKeyMPSXVYIPEZYZCR-YRNVUSSQSA-N
XLogP0.88
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(benzoylhydrazinylidene)propanoic acid?
The IUPAC name of (2E)-2-(benzoylhydrazinylidene)propanoic acid (CID 5399093) is (2E)-2-(benzoylhydrazinylidene)propanoic acid.
What is the SMILES notation for (2E)-2-(benzoylhydrazinylidene)propanoic acid?
The canonical SMILES for (2E)-2-(benzoylhydrazinylidene)propanoic acid is C/C(=N\NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2E)-2-(benzoylhydrazinylidene)propanoic acid?
The InChIKey is MPSXVYIPEZYZCR-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(10(14)15)11-12-9(13)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)/b11-7+.
What are the key properties of (2E)-2-(benzoylhydrazinylidene)propanoic acid?
(2E)-2-(benzoylhydrazinylidene)propanoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(benzoylhydrazinylidene)propanoic acid is sourced from PubChem (CID 5399093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).