N-hydroxynitramide

H2N2O3 — CID 5491930

IUPACN-hydroxynitramide
SMILESO=[N+]([O-])NO
InChIInChI=1S/H2N2O3/c3-1-2(4)5/h1,3H
InChIKeyBUIMWOLDCCGZKZ-UHFFFAOYSA-N
MW78.03 g/mol
LogP-0.84
Rot. Bonds1

About N-hydroxynitramide

N-hydroxynitramide (PubChem CID 5491930) has the molecular formula H2N2O3 and a molecular weight of 78.03 g/mol. Its IUPAC name is N-hydroxynitramide.

Molecular Properties

Compound NameN-hydroxynitramide
PubChem CID5491930
Molecular FormulaH2N2O3
Molecular Weight78.03 g/mol
Exact Mass78.01
IUPAC NameN-hydroxynitramide
SMILESO=[N+]([O-])NO
InChIInChI=1S/H2N2O3/c3-1-2(4)5/h1,3H
InChIKeyBUIMWOLDCCGZKZ-UHFFFAOYSA-N
XLogP-0.84
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.03
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-hydroxynitramide?
The IUPAC name of N-hydroxynitramide (CID 5491930) is N-hydroxynitramide.
What is the SMILES notation for N-hydroxynitramide?
The canonical SMILES for N-hydroxynitramide is O=[N+]([O-])NO.
What is the InChIKey of N-hydroxynitramide?
The InChIKey is BUIMWOLDCCGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O3/c3-1-2(4)5/h1,3H.
What are the key properties of N-hydroxynitramide?
N-hydroxynitramide has a molecular weight of 78.03 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxynitramide is sourced from PubChem (CID 5491930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).