3-(benzoylhydrazinylidene)propanoic acid

C10H10N2O3 — CID 90703954

IUPAC3-(benzoylhydrazinylidene)propanoic acid
SMILESO=C(O)CC=NNC(=O)c1ccccc1
InChIInChI=1S/C10H10N2O3/c13-9(14)6-7-11-12-10(15)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,15)(H,13,14)
InChIKeyRLNGWXUVYKPKOZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.88
Rot. Bonds4

About 3-(benzoylhydrazinylidene)propanoic acid

3-(benzoylhydrazinylidene)propanoic acid (PubChem CID 90703954) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(benzoylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name3-(benzoylhydrazinylidene)propanoic acid
PubChem CID90703954
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(benzoylhydrazinylidene)propanoic acid
SMILESO=C(O)CC=NNC(=O)c1ccccc1
InChIInChI=1S/C10H10N2O3/c13-9(14)6-7-11-12-10(15)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,15)(H,13,14)
InChIKeyRLNGWXUVYKPKOZ-UHFFFAOYSA-N
XLogP0.88
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N'-[(E)-Phenylmethylidene]benzohydrazide
CID 9561277
Benzoic acid, 2-(1-methylethylidene)hydrazide
CID 18868
Benzoic acid, (1-carboxyethylidene)hydrazide
CID 5399093
n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978
N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
N-(benzylideneamino)benzamide
CID 238530
(2Z)-2-[(Phenylformamido)imino]propanoic acid
CID 5360813
4-Methyl-N'-[(E)-phenylmethylidene]benzohydrazide
CID 5331913
N-[(E)-2-ethylbutylideneamino]-2-fluorobenzamide
CID 9626425
N'-(4-fluorobenzylidene)benzohydrazide
CID 6895184
N'-[(1E)-3-phenylpropylidene]benzohydrazide
CID 9592741
N'-cyclohexylidenebenzohydrazide
CID 288072

Frequently Asked Questions

What is the IUPAC name of 3-(benzoylhydrazinylidene)propanoic acid?
The IUPAC name of 3-(benzoylhydrazinylidene)propanoic acid (CID 90703954) is 3-(benzoylhydrazinylidene)propanoic acid.
What is the SMILES notation for 3-(benzoylhydrazinylidene)propanoic acid?
The canonical SMILES for 3-(benzoylhydrazinylidene)propanoic acid is O=C(O)CC=NNC(=O)c1ccccc1.
What is the InChIKey of 3-(benzoylhydrazinylidene)propanoic acid?
The InChIKey is RLNGWXUVYKPKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-9(14)6-7-11-12-10(15)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,15)(H,13,14).
What are the key properties of 3-(benzoylhydrazinylidene)propanoic acid?
3-(benzoylhydrazinylidene)propanoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzoylhydrazinylidene)propanoic acid is sourced from PubChem (CID 90703954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).