N'-(4-methylphenyl)acetohydrazide

C9H12N2O — CID 539992

IUPACN'-(4-methylphenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(C)cc1
InChIInChI=1S/C9H12N2O/c1-7-3-5-9(6-4-7)11-10-8(2)12/h3-6,11H,1-2H3,(H,10,12)
InChIKeyCXXPSOUBODTKJI-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.46
Rot. Bonds2

About N'-(4-methylphenyl)acetohydrazide

N'-(4-methylphenyl)acetohydrazide (PubChem CID 539992) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-(4-methylphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)acetohydrazide
PubChem CID539992
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN'-(4-methylphenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(C)cc1
InChIInChI=1S/C9H12N2O/c1-7-3-5-9(6-4-7)11-10-8(2)12/h3-6,11H,1-2H3,(H,10,12)
InChIKeyCXXPSOUBODTKJI-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylphenylhydrazine
CID 8247
(4-Methylphenyl)hydrazine
CID 10875
4-Methylphenylhydrazine monohydrochloride
CID 12504
1-Methyl-3-p-tolyltriazene
CID 30492
2-hydrazino-N-(4-methylphenyl)-2-oxoacetamide
CID 2466747
Propionic acid phenylhydrazide
CID 88671
1-Ethyl-3-p-tolyltriazene
CID 98546
Oxalic acid, bis(2-methyl-2-phenylhydrazide)
CID 57341
3-Phenyl-1H-pyrazol-5-ol
CID 594763
2-Ethyl-2-hydroxybutanoic acid 2-(2-methylphenyl)hydrazide
CID 18488
o-Tolylhydrazinium(1+) chloride
CID 71554
m-Tolylhydrazinium(1+) chloride
CID 71562

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)acetohydrazide?
The IUPAC name of N'-(4-methylphenyl)acetohydrazide (CID 539992) is N'-(4-methylphenyl)acetohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)acetohydrazide?
The canonical SMILES for N'-(4-methylphenyl)acetohydrazide is CC(=O)NNc1ccc(C)cc1.
What is the InChIKey of N'-(4-methylphenyl)acetohydrazide?
The InChIKey is CXXPSOUBODTKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-5-9(6-4-7)11-10-8(2)12/h3-6,11H,1-2H3,(H,10,12).
What are the key properties of N'-(4-methylphenyl)acetohydrazide?
N'-(4-methylphenyl)acetohydrazide has a molecular weight of 164.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)acetohydrazide is sourced from PubChem (CID 539992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).