2-[2-(hydroxyamino)phenyl]acetaldehyde

C8H9NO2 — CID 54509735

IUPAC2-[2-(hydroxyamino)phenyl]acetaldehyde
SMILESO=CCc1ccccc1NO
InChIInChI=1S/C8H9NO2/c10-6-5-7-3-1-2-4-8(7)9-11/h1-4,6,9,11H,5H2
InChIKeyYIGDULYVFJGZEY-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.23
Rot. Bonds3

About 2-[2-(hydroxyamino)phenyl]acetaldehyde

2-[2-(hydroxyamino)phenyl]acetaldehyde (PubChem CID 54509735) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-[2-(hydroxyamino)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(hydroxyamino)phenyl]acetaldehyde
PubChem CID54509735
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-[2-(hydroxyamino)phenyl]acetaldehyde
SMILESO=CCc1ccccc1NO
InChIInChI=1S/C8H9NO2/c10-6-5-7-3-1-2-4-8(7)9-11/h1-4,6,9,11H,5H2
InChIKeyYIGDULYVFJGZEY-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.23
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'}

Analyze 2-[2-(hydroxyamino)phenyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxyamino)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(hydroxyamino)phenyl]acetaldehyde (CID 54509735) is 2-[2-(hydroxyamino)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(hydroxyamino)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(hydroxyamino)phenyl]acetaldehyde is O=CCc1ccccc1NO.
What is the InChIKey of 2-[2-(hydroxyamino)phenyl]acetaldehyde?
The InChIKey is YIGDULYVFJGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-6-5-7-3-1-2-4-8(7)9-11/h1-4,6,9,11H,5H2.
What are the key properties of 2-[2-(hydroxyamino)phenyl]acetaldehyde?
2-[2-(hydroxyamino)phenyl]acetaldehyde has a molecular weight of 151.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxyamino)phenyl]acetaldehyde is sourced from PubChem (CID 54509735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).