2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide

C9H11N3O2 — CID 2466747

IUPAC2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NN)cc1
InChIInChI=1S/C9H11N3O2/c1-6-2-4-7(5-3-6)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyNVMUGOZCZZZROI-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.08
Rot. Bonds1

About 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide

2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 2466747) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID2466747
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NN)cc1
InChIInChI=1S/C9H11N3O2/c1-6-2-4-7(5-3-6)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyNVMUGOZCZZZROI-UHFFFAOYSA-N
XLogP-0.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide (CID 2466747) is 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)NN)cc1.
What is the InChIKey of 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is NVMUGOZCZZZROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-2-4-7(5-3-6)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide?
2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 193.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 2466747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).