(dinitroamino) nitrate

N4O7 — CID 154311822

IUPAC(dinitroamino) nitrate
SMILESO=[N+]([O-])ON([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/N4O7/c5-2(6)1(3(7)8)11-4(9)10
InChIKeyZAXYWDCYJWCAOM-UHFFFAOYSA-N
MW168.02 g/mol
LogP-1.20
Rot. Bonds4

About (dinitroamino) nitrate

(dinitroamino) nitrate (PubChem CID 154311822) has the molecular formula N4O7 and a molecular weight of 168.02 g/mol. Its IUPAC name is (dinitroamino) nitrate.

Molecular Properties

Compound Name(dinitroamino) nitrate
PubChem CID154311822
Molecular FormulaN4O7
Molecular Weight168.02 g/mol
Exact Mass167.98
IUPAC Name(dinitroamino) nitrate
SMILESO=[N+]([O-])ON([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/N4O7/c5-2(6)1(3(7)8)11-4(9)10
InChIKeyZAXYWDCYJWCAOM-UHFFFAOYSA-N
XLogP-1.20
TPSA141.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.02
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

amino nitrate;mercury
CID 174849220
amino nitrate;platinum
CID 174487148
[amino(2-hydrazinylethyl)amino] nitrate
CID 170698240
nitric acid;ruthenium;dinitrate
CID 173436166
(dicyclohexylamino) nitrate
CID 141326529
[cyano(nitrooxy)amino] thiocyanate
CID 150613497
terbium;trinitrate;hexahydrate
CID 20978123
hydroxy nitrate;lanthanum
CID 159833759
zinc oxido nitrate
CID 173013987
iodo nitrate
CID 13406959
azane;hydroxy nitrate
CID 173145569
methyl nitrate
CID 11724

Frequently Asked Questions

What is the IUPAC name of (dinitroamino) nitrate?
The IUPAC name of (dinitroamino) nitrate (CID 154311822) is (dinitroamino) nitrate.
What is the SMILES notation for (dinitroamino) nitrate?
The canonical SMILES for (dinitroamino) nitrate is O=[N+]([O-])ON([N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of (dinitroamino) nitrate?
The InChIKey is ZAXYWDCYJWCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/N4O7/c5-2(6)1(3(7)8)11-4(9)10.
What are the key properties of (dinitroamino) nitrate?
(dinitroamino) nitrate has a molecular weight of 168.02 g/mol, XLogP of -1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (dinitroamino) nitrate is sourced from PubChem (CID 154311822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).