ethenylazanium nitrate

C2H6N2O3 — CID 22104965

IUPACethenylazanium nitrate
SMILESC=C[NH3+].O=[N+]([O-])[O-]
InChIInChI=1S/C2H5N.NO3/c1-2-3;2-1(3)4/h2H,1,3H2;/q;-1/p+1
InChIKeyQSUOGRFVOWHZEO-UHFFFAOYSA-O
MW106.08 g/mol
LogP-0.87
Rot. Bonds

About ethenylazanium nitrate

ethenylazanium nitrate (PubChem CID 22104965) has the molecular formula C2H6N2O3 and a molecular weight of 106.08 g/mol. Its IUPAC name is ethenylazanium nitrate.

Molecular Properties

Compound Nameethenylazanium nitrate
PubChem CID22104965
Molecular FormulaC2H6N2O3
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC Nameethenylazanium nitrate
SMILESC=C[NH3+].O=[N+]([O-])[O-]
InChIInChI=1S/C2H5N.NO3/c1-2-3;2-1(3)4/h2H,1,3H2;/q;-1/p+1
InChIKeyQSUOGRFVOWHZEO-UHFFFAOYSA-O
XLogP-0.87
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

europium(3+) trinitrate
CID 24983
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
aluminum trinitrate
CID 26053
platinum pentanitrate
CID 173027999
tetrakis(lanthanum(3+));trinitrate
CID 19804472
gold dinitrate
CID 161234525
samarium trinitrate
CID 21321193
zinc dinitrate
CID 24518
bis(osmium(4+));octanitrate
CID 158143113
palladium(2+) nitrate
CID 15793330

Frequently Asked Questions

What is the IUPAC name of ethenylazanium nitrate?
The IUPAC name of ethenylazanium nitrate (CID 22104965) is ethenylazanium nitrate.
What is the SMILES notation for ethenylazanium nitrate?
The canonical SMILES for ethenylazanium nitrate is C=C[NH3+].O=[N+]([O-])[O-].
What is the InChIKey of ethenylazanium nitrate?
The InChIKey is QSUOGRFVOWHZEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5N.NO3/c1-2-3;2-1(3)4/h2H,1,3H2;/q;-1/p+1.
What are the key properties of ethenylazanium nitrate?
ethenylazanium nitrate has a molecular weight of 106.08 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylazanium nitrate is sourced from PubChem (CID 22104965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).