ethylazanium nitrate

C2H8N2O3 — CID 6432248

IUPACethylazanium nitrate
SMILESCC[NH3+].O=[N+]([O-])[O-]
InChIInChI=1S/C2H7N.NO3/c1-2-3;2-1(3)4/h2-3H2,1H3;/q;-1/p+1
InChIKeyAHRQMWOXLCFNAV-UHFFFAOYSA-O
MW108.10 g/mol
LogP-0.99
Rot. Bonds

About ethylazanium nitrate

ethylazanium nitrate (PubChem CID 6432248) has the molecular formula C2H8N2O3 and a molecular weight of 108.10 g/mol. Its IUPAC name is ethylazanium nitrate.

Molecular Properties

Compound Nameethylazanium nitrate
PubChem CID6432248
Molecular FormulaC2H8N2O3
Molecular Weight108.10 g/mol
Exact Mass108.05
IUPAC Nameethylazanium nitrate
SMILESCC[NH3+].O=[N+]([O-])[O-]
InChIInChI=1S/C2H7N.NO3/c1-2-3;2-1(3)4/h2-3H2,1H3;/q;-1/p+1
InChIKeyAHRQMWOXLCFNAV-UHFFFAOYSA-O
XLogP-0.99
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.99
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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Frequently Asked Questions

What is the IUPAC name of ethylazanium nitrate?
The IUPAC name of ethylazanium nitrate (CID 6432248) is ethylazanium nitrate.
What is the SMILES notation for ethylazanium nitrate?
The canonical SMILES for ethylazanium nitrate is CC[NH3+].O=[N+]([O-])[O-].
What is the InChIKey of ethylazanium nitrate?
The InChIKey is AHRQMWOXLCFNAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7N.NO3/c1-2-3;2-1(3)4/h2-3H2,1H3;/q;-1/p+1.
What are the key properties of ethylazanium nitrate?
ethylazanium nitrate has a molecular weight of 108.10 g/mol, XLogP of -0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium nitrate is sourced from PubChem (CID 6432248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).