4-methyl-2-(methylaminooxy)benzaldehyde

C9H11NO2 — CID 145163074

IUPAC4-methyl-2-(methylaminooxy)benzaldehyde
SMILESCNOc1cc(C)ccc1C=O
InChIInChI=1S/C9H11NO2/c1-7-3-4-8(6-11)9(5-7)12-10-2/h3-6,10H,1-2H3
InChIKeyZLZDMKRKNYSLEC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.32
Rot. Bonds3

About 4-methyl-2-(methylaminooxy)benzaldehyde

4-methyl-2-(methylaminooxy)benzaldehyde (PubChem CID 145163074) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-methyl-2-(methylaminooxy)benzaldehyde.

Molecular Properties

Compound Name4-methyl-2-(methylaminooxy)benzaldehyde
PubChem CID145163074
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-methyl-2-(methylaminooxy)benzaldehyde
SMILESCNOc1cc(C)ccc1C=O
InChIInChI=1S/C9H11NO2/c1-7-3-4-8(6-11)9(5-7)12-10-2/h3-6,10H,1-2H3
InChIKeyZLZDMKRKNYSLEC-UHFFFAOYSA-N
XLogP1.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 4-methyl-2-(methylaminooxy)benzaldehyde?
The IUPAC name of 4-methyl-2-(methylaminooxy)benzaldehyde (CID 145163074) is 4-methyl-2-(methylaminooxy)benzaldehyde.
What is the SMILES notation for 4-methyl-2-(methylaminooxy)benzaldehyde?
The canonical SMILES for 4-methyl-2-(methylaminooxy)benzaldehyde is CNOc1cc(C)ccc1C=O.
What is the InChIKey of 4-methyl-2-(methylaminooxy)benzaldehyde?
The InChIKey is ZLZDMKRKNYSLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-3-4-8(6-11)9(5-7)12-10-2/h3-6,10H,1-2H3.
What are the key properties of 4-methyl-2-(methylaminooxy)benzaldehyde?
4-methyl-2-(methylaminooxy)benzaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminooxy)benzaldehyde is sourced from PubChem (CID 145163074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).