N-aminooxy-3-formylbenzamide

C8H8N2O3 — CID 166696896

IUPACN-aminooxy-3-formylbenzamide
SMILESNONC(=O)c1cccc(C=O)c1
InChIInChI=1S/C8H8N2O3/c9-13-10-8(12)7-3-1-2-6(4-7)5-11/h1-5H,9H2,(H,10,12)
InChIKeyNRJNGUUJWDBVDI-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.03
Rot. Bonds3

About N-aminooxy-3-formylbenzamide

N-aminooxy-3-formylbenzamide (PubChem CID 166696896) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is N-aminooxy-3-formylbenzamide.

Molecular Properties

Compound NameN-aminooxy-3-formylbenzamide
PubChem CID166696896
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC NameN-aminooxy-3-formylbenzamide
SMILESNONC(=O)c1cccc(C=O)c1
InChIInChI=1S/C8H8N2O3/c9-13-10-8(12)7-3-1-2-6(4-7)5-11/h1-5H,9H2,(H,10,12)
InChIKeyNRJNGUUJWDBVDI-UHFFFAOYSA-N
XLogP0.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-aminooxy-3-formylbenzamide?
The IUPAC name of N-aminooxy-3-formylbenzamide (CID 166696896) is N-aminooxy-3-formylbenzamide.
What is the SMILES notation for N-aminooxy-3-formylbenzamide?
The canonical SMILES for N-aminooxy-3-formylbenzamide is NONC(=O)c1cccc(C=O)c1.
What is the InChIKey of N-aminooxy-3-formylbenzamide?
The InChIKey is NRJNGUUJWDBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-13-10-8(12)7-3-1-2-6(4-7)5-11/h1-5H,9H2,(H,10,12).
What are the key properties of N-aminooxy-3-formylbenzamide?
N-aminooxy-3-formylbenzamide has a molecular weight of 180.16 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminooxy-3-formylbenzamide is sourced from PubChem (CID 166696896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).