nitronium nitrite

N2O4 — CID 15869614

IUPACnitronium nitrite
SMILESO=N[O-].O=[N+]=O
InChIInChI=1S/HNO2.NO2/c2*2-1-3/h(H,2,3);/q;+1/p-1
InChIKeySTBGSVMWFHVROP-UHFFFAOYSA-M
MW92.01 g/mol
LogP-0.16
Rot. Bonds

About nitronium nitrite

nitronium nitrite (PubChem CID 15869614) has the molecular formula N2O4 and a molecular weight of 92.01 g/mol. Its IUPAC name is nitronium nitrite.

Molecular Properties

Compound Namenitronium nitrite
PubChem CID15869614
Molecular FormulaN2O4
Molecular Weight92.01 g/mol
Exact Mass91.99
IUPAC Namenitronium nitrite
SMILESO=N[O-].O=[N+]=O
InChIInChI=1S/HNO2.NO2/c2*2-1-3/h(H,2,3);/q;+1/p-1
InChIKeySTBGSVMWFHVROP-UHFFFAOYSA-M
XLogP-0.16
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.01
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitronium nitrite?
The IUPAC name of nitronium nitrite (CID 15869614) is nitronium nitrite.
What is the SMILES notation for nitronium nitrite?
The canonical SMILES for nitronium nitrite is O=N[O-].O=[N+]=O.
What is the InChIKey of nitronium nitrite?
The InChIKey is STBGSVMWFHVROP-UHFFFAOYSA-M. The full InChI is InChI=1S/HNO2.NO2/c2*2-1-3/h(H,2,3);/q;+1/p-1.
What are the key properties of nitronium nitrite?
nitronium nitrite has a molecular weight of 92.01 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitronium nitrite is sourced from PubChem (CID 15869614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).