2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide

C11H15N3O4 — CID 63570531

IUPAC2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide
SMILESCc1cc(C)c(OC(C)C(=O)NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-6-4-7(2)10(9(5-6)14(16)17)18-8(3)11(15)13-12/h4-5,8H,12H2,1-3H3,(H,13,15)
InChIKeyANBNXUPZWIJLFF-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.97
Rot. Bonds4

About 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide

2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide (PubChem CID 63570531) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide
PubChem CID63570531
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide
SMILESCc1cc(C)c(OC(C)C(=O)NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-6-4-7(2)10(9(5-6)14(16)17)18-8(3)11(15)13-12/h4-5,8H,12H2,1-3H3,(H,13,15)
InChIKeyANBNXUPZWIJLFF-UHFFFAOYSA-N
XLogP0.97
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.97
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-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide
CID 79844395
2-(2,4-dimethyl-6-nitrophenoxy)pentan-3-one
CID 64866319
(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41037031
3-methyl-2-(3-methyl-4-nitrophenoxy)butanehydrazide
CID 63574587
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
1-(2,4-dimethyl-6-nitrophenoxy)-3,3-dimethylbutan-2-one
CID 55021233
1-(2,4-dimethyl-6-nitrophenoxy)-3-methoxypropan-2-one
CID 107508134
N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 23989229
2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
2-[4-bromo-2-(1-hydroxyethyl)-6-nitrophenoxy]-N-methylpropanamide
CID 116542071
(1S)-1-[2-(2,4-dimethyl-6-nitrophenoxy)phenyl]ethanamine
CID 63370124

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide?
The IUPAC name of 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide (CID 63570531) is 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide.
What is the SMILES notation for 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide?
The canonical SMILES for 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide is Cc1cc(C)c(OC(C)C(=O)NN)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide?
The InChIKey is ANBNXUPZWIJLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-4-7(2)10(9(5-6)14(16)17)18-8(3)11(15)13-12/h4-5,8H,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide?
2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide has a molecular weight of 253.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 63570531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).