4-ethyl-3-(hydroxyamino)benzaldehyde

C9H11NO2 — CID 123818347

IUPAC4-ethyl-3-(hydroxyamino)benzaldehyde
SMILESCCc1ccc(C=O)cc1NO
InChIInChI=1S/C9H11NO2/c1-2-8-4-3-7(6-11)5-9(8)10-12/h3-6,10,12H,2H2,1H3
InChIKeyCCTSBCCTBBKLTD-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.86
Rot. Bonds3

About 4-ethyl-3-(hydroxyamino)benzaldehyde

4-ethyl-3-(hydroxyamino)benzaldehyde (PubChem CID 123818347) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-ethyl-3-(hydroxyamino)benzaldehyde.

Molecular Properties

Compound Name4-ethyl-3-(hydroxyamino)benzaldehyde
PubChem CID123818347
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-ethyl-3-(hydroxyamino)benzaldehyde
SMILESCCc1ccc(C=O)cc1NO
InChIInChI=1S/C9H11NO2/c1-2-8-4-3-7(6-11)5-9(8)10-12/h3-6,10,12H,2H2,1H3
InChIKeyCCTSBCCTBBKLTD-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
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-ethyl-3-(hydroxyamino)benzaldehyde?
The IUPAC name of 4-ethyl-3-(hydroxyamino)benzaldehyde (CID 123818347) is 4-ethyl-3-(hydroxyamino)benzaldehyde.
What is the SMILES notation for 4-ethyl-3-(hydroxyamino)benzaldehyde?
The canonical SMILES for 4-ethyl-3-(hydroxyamino)benzaldehyde is CCc1ccc(C=O)cc1NO.
What is the InChIKey of 4-ethyl-3-(hydroxyamino)benzaldehyde?
The InChIKey is CCTSBCCTBBKLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-8-4-3-7(6-11)5-9(8)10-12/h3-6,10,12H,2H2,1H3.
What are the key properties of 4-ethyl-3-(hydroxyamino)benzaldehyde?
4-ethyl-3-(hydroxyamino)benzaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(hydroxyamino)benzaldehyde is sourced from PubChem (CID 123818347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).