2-(3-methyl-4-nitrophenoxy)acetohydrazide

C9H11N3O4 — CID 2063569

IUPAC2-(3-methyl-4-nitrophenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-6-4-7(16-5-9(13)11-10)2-3-8(6)12(14)15/h2-4H,5,10H2,1H3,(H,11,13)
InChIKeyYZHLJVYNDYJHDO-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.27
Rot. Bonds4

About 2-(3-methyl-4-nitrophenoxy)acetohydrazide

2-(3-methyl-4-nitrophenoxy)acetohydrazide (PubChem CID 2063569) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)acetohydrazide
PubChem CID2063569
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(3-methyl-4-nitrophenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-6-4-7(16-5-9(13)11-10)2-3-8(6)12(14)15/h2-4H,5,10H2,1H3,(H,11,13)
InChIKeyYZHLJVYNDYJHDO-UHFFFAOYSA-N
XLogP0.27
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.27
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

N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495
(2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8648080
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648147
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)acetohydrazide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)acetohydrazide (CID 2063569) is 2-(3-methyl-4-nitrophenoxy)acetohydrazide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)acetohydrazide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)acetohydrazide is Cc1cc(OCC(=O)NN)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)acetohydrazide?
The InChIKey is YZHLJVYNDYJHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-6-4-7(16-5-9(13)11-10)2-3-8(6)12(14)15/h2-4H,5,10H2,1H3,(H,11,13).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)acetohydrazide?
2-(3-methyl-4-nitrophenoxy)acetohydrazide has a molecular weight of 225.20 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)acetohydrazide is sourced from PubChem (CID 2063569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).