nitroso nitrate

N2O4 — CID 519198

IUPACnitroso nitrate
SMILESO=NO[N+](=O)[O-]
InChIInChI=1S/N2O4/c3-1-6-2(4)5
InChIKeyPNPIRSNMYIHTPS-UHFFFAOYSA-N
MW92.01 g/mol
LogP-0.12
Rot. Bonds2

About nitroso nitrate

nitroso nitrate (PubChem CID 519198) has the molecular formula N2O4 and a molecular weight of 92.01 g/mol. Its IUPAC name is nitroso nitrate.

Molecular Properties

Compound Namenitroso nitrate
PubChem CID519198
Molecular FormulaN2O4
Molecular Weight92.01 g/mol
Exact Mass91.99
IUPAC Namenitroso nitrate
SMILESO=NO[N+](=O)[O-]
InChIInChI=1S/N2O4/c3-1-6-2(4)5
InChIKeyPNPIRSNMYIHTPS-UHFFFAOYSA-N
XLogP-0.12
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.01
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 nitroso nitrate?
The IUPAC name of nitroso nitrate (CID 519198) is nitroso nitrate.
What is the SMILES notation for nitroso nitrate?
The canonical SMILES for nitroso nitrate is O=NO[N+](=O)[O-].
What is the InChIKey of nitroso nitrate?
The InChIKey is PNPIRSNMYIHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/N2O4/c3-1-6-2(4)5.
What are the key properties of nitroso nitrate?
nitroso nitrate has a molecular weight of 92.01 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso nitrate is sourced from PubChem (CID 519198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).