2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde

C8H10N2O2 — CID 118501193

IUPAC2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde
SMILESNc1ccc(C(C=O)NO)cc1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)8(5-11)10-12/h1-5,8,10,12H,9H2
InChIKeyJPRCYDHESVXBIK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde

2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde (PubChem CID 118501193) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde
PubChem CID118501193
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde
SMILESNc1ccc(C(C=O)NO)cc1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)8(5-11)10-12/h1-5,8,10,12H,9H2
InChIKeyJPRCYDHESVXBIK-UHFFFAOYSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde?
The IUPAC name of 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde (CID 118501193) is 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde.
What is the SMILES notation for 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde?
The canonical SMILES for 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde is Nc1ccc(C(C=O)NO)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde?
The InChIKey is JPRCYDHESVXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)8(5-11)10-12/h1-5,8,10,12H,9H2.
What are the key properties of 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde?
2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-(hydroxyamino)acetaldehyde is sourced from PubChem (CID 118501193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).