2-(2-nitrophenoxy)acetohydrazide

C8H9N3O4 — CID 719765

IUPAC2-(2-nitrophenoxy)acetohydrazide
SMILESNNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyQUTJSDSZEWQPSX-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.04
Rot. Bonds4

About 2-(2-nitrophenoxy)acetohydrazide

2-(2-nitrophenoxy)acetohydrazide (PubChem CID 719765) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)acetohydrazide
PubChem CID719765
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-(2-nitrophenoxy)acetohydrazide
SMILESNNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyQUTJSDSZEWQPSX-UHFFFAOYSA-N
XLogP-0.04
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Propanone, 1-(2-nitrophenoxy)-
CID 79239
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
4-Nitrophenoxyacetic acid hydrazide
CID 156556
2-Nitrophenoxyacetyl Chloride
CID 11321874
2-{4-nitrophenoxy}-N'-(1,2,2-trimethylpropylidene)acetohydrazide
CID 5933622
3,3-Dimethyl-1-(2-nitrophenoxy)-2-butanone
CID 1476751
Ethyl 2-(2-(2-methoxyphenyl)hydrazinyl)-2-oxoacetate
CID 1649121
3-(2-nitrophenoxy)propan-1-amine Hydrochloride
CID 11379279
2-(2-nitrophenoxy)-N-propylacetamide
CID 2500409
N'-cyclopentylidene-2-(4-nitrophenoxy)acetohydrazide
CID 833120
N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 1728317
N-butyl-2-(2-nitrophenoxy)acetamide
CID 2500379

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)acetohydrazide?
The IUPAC name of 2-(2-nitrophenoxy)acetohydrazide (CID 719765) is 2-(2-nitrophenoxy)acetohydrazide.
What is the SMILES notation for 2-(2-nitrophenoxy)acetohydrazide?
The canonical SMILES for 2-(2-nitrophenoxy)acetohydrazide is NNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenoxy)acetohydrazide?
The InChIKey is QUTJSDSZEWQPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12).
What are the key properties of 2-(2-nitrophenoxy)acetohydrazide?
2-(2-nitrophenoxy)acetohydrazide has a molecular weight of 211.18 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)acetohydrazide is sourced from PubChem (CID 719765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).