N'-(4-nitrophenyl)acetohydrazide

C8H9N3O3 — CID 3404344

IUPACN'-(4-nitrophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O3/c1-6(12)9-10-7-2-4-8(5-3-7)11(13)14/h2-5,10H,1H3,(H,9,12)
InChIKeyJBEVBBJOOYCIGB-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.06
Rot. Bonds3

About N'-(4-nitrophenyl)acetohydrazide

N'-(4-nitrophenyl)acetohydrazide (PubChem CID 3404344) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N'-(4-nitrophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)acetohydrazide
PubChem CID3404344
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN'-(4-nitrophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O3/c1-6(12)9-10-7-2-4-8(5-3-7)11(13)14/h2-5,10H,1H3,(H,9,12)
InChIKeyJBEVBBJOOYCIGB-UHFFFAOYSA-N
XLogP1.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 N'-(4-nitrophenyl)acetohydrazide?
The IUPAC name of N'-(4-nitrophenyl)acetohydrazide (CID 3404344) is N'-(4-nitrophenyl)acetohydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)acetohydrazide?
The canonical SMILES for N'-(4-nitrophenyl)acetohydrazide is CC(=O)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)acetohydrazide?
The InChIKey is JBEVBBJOOYCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-6(12)9-10-7-2-4-8(5-3-7)11(13)14/h2-5,10H,1H3,(H,9,12).
What are the key properties of N'-(4-nitrophenyl)acetohydrazide?
N'-(4-nitrophenyl)acetohydrazide has a molecular weight of 195.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)acetohydrazide is sourced from PubChem (CID 3404344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).