N-(2-formylphenyl)-N-hydroxyacetamide

C9H9NO3 — CID 130024852

IUPACN-(2-formylphenyl)-N-hydroxyacetamide
SMILESCC(=O)N(O)c1ccccc1C=O
InChIInChI=1S/C9H9NO3/c1-7(12)10(13)9-5-3-2-4-8(9)6-11/h2-6,13H,1H3
InChIKeyJHMBKFLWVSQVPA-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.24
Rot. Bonds2

About N-(2-formylphenyl)-N-hydroxyacetamide

N-(2-formylphenyl)-N-hydroxyacetamide (PubChem CID 130024852) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-(2-formylphenyl)-N-hydroxyacetamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-N-hydroxyacetamide
PubChem CID130024852
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC NameN-(2-formylphenyl)-N-hydroxyacetamide
SMILESCC(=O)N(O)c1ccccc1C=O
InChIInChI=1S/C9H9NO3/c1-7(12)10(13)9-5-3-2-4-8(9)6-11/h2-6,13H,1H3
InChIKeyJHMBKFLWVSQVPA-UHFFFAOYSA-N
XLogP1.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 N-(2-formylphenyl)-N-hydroxyacetamide?
The IUPAC name of N-(2-formylphenyl)-N-hydroxyacetamide (CID 130024852) is N-(2-formylphenyl)-N-hydroxyacetamide.
What is the SMILES notation for N-(2-formylphenyl)-N-hydroxyacetamide?
The canonical SMILES for N-(2-formylphenyl)-N-hydroxyacetamide is CC(=O)N(O)c1ccccc1C=O.
What is the InChIKey of N-(2-formylphenyl)-N-hydroxyacetamide?
The InChIKey is JHMBKFLWVSQVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-7(12)10(13)9-5-3-2-4-8(9)6-11/h2-6,13H,1H3.
What are the key properties of N-(2-formylphenyl)-N-hydroxyacetamide?
N-(2-formylphenyl)-N-hydroxyacetamide has a molecular weight of 179.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-N-hydroxyacetamide is sourced from PubChem (CID 130024852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).