Pyruvic acid benzoyl hydrazone

C10H10N2O3 — CID 33493

IUPAC2-(benzoylhydrazinylidene)propanoic acid
SMILESCC(=NNC(=O)C1=CC=CC=C1)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)
InChIKeyMPSXVYIPEZYZCR-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.70
Rot. Bonds3

About Pyruvic acid benzoyl hydrazone

Pyruvic acid benzoyl hydrazone (PubChem CID 33493) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(benzoylhydrazinylidene)propanoic acid.

Molecular Properties

Compound NamePyruvic acid benzoyl hydrazone
PubChem CID33493
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(benzoylhydrazinylidene)propanoic acid
SMILESCC(=NNC(=O)C1=CC=CC=C1)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)
InChIKeyMPSXVYIPEZYZCR-UHFFFAOYSA-N
XLogP1.70
TPSA78.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity280

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid
CID 348621
Benzoic acid, 2-(1-methylethylidene)hydrazide
CID 18868
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
Benzoic acid, (1-carboxyethylidene)hydrazide
CID 5399093
N'-[(2E,3E)-4-(2-fluorophenyl)but-3-en-2-ylidene]benzohydrazide
CID 9557181
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
(2Z)-2-[(Phenylformamido)imino]propanoic acid
CID 5360813
(E)-N'-(4-Phenylbutan-2-ylidene)benzohydrazide
CID 6004735
N'-cyclohexylidenebenzohydrazide
CID 288072
Benzoic acid, 2-(2-methylpropylidene)hydrazide
CID 112687
(S)-2-(4-hydroxyphthalazin-1-yl)propanoic acid
CID 658971
N-[(2-methylcyclohexylidene)amino]benzamide
CID 280395

Frequently Asked Questions

What is the IUPAC name of Pyruvic acid benzoyl hydrazone?
The IUPAC name of Pyruvic acid benzoyl hydrazone (CID 33493) is 2-(benzoylhydrazinylidene)propanoic acid.
What is the SMILES notation for Pyruvic acid benzoyl hydrazone?
The canonical SMILES for Pyruvic acid benzoyl hydrazone is CC(=NNC(=O)C1=CC=CC=C1)C(=O)O.
What is the InChIKey of Pyruvic acid benzoyl hydrazone?
The InChIKey is MPSXVYIPEZYZCR-UHFFFAOYSA-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).
What are the key properties of Pyruvic acid benzoyl hydrazone?
Pyruvic acid benzoyl hydrazone has a molecular weight of 206.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Pyruvic acid benzoyl hydrazone is sourced from PubChem (CID 33493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).