ethyl(hydroxy)azanium nitrate

C2H8N2O4 — CID 22114449

IUPACethyl(hydroxy)azanium nitrate
SMILESCC[NH2+]O.O=[N+]([O-])[O-]
InChIInChI=1S/C2H7NO.NO3/c1-2-3-4;2-1(3)4/h3-4H,2H2,1H3;/q;-1/p+1
InChIKeyWXNHIUILTBABGQ-UHFFFAOYSA-O
MW124.10 g/mol
LogP-1.28
Rot. Bonds1

About ethyl(hydroxy)azanium nitrate

ethyl(hydroxy)azanium nitrate (PubChem CID 22114449) has the molecular formula C2H8N2O4 and a molecular weight of 124.10 g/mol. Its IUPAC name is ethyl(hydroxy)azanium nitrate.

Molecular Properties

Compound Nameethyl(hydroxy)azanium nitrate
PubChem CID22114449
Molecular FormulaC2H8N2O4
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC Nameethyl(hydroxy)azanium nitrate
SMILESCC[NH2+]O.O=[N+]([O-])[O-]
InChIInChI=1S/C2H7NO.NO3/c1-2-3-4;2-1(3)4/h3-4H,2H2,1H3;/q;-1/p+1
InChIKeyWXNHIUILTBABGQ-UHFFFAOYSA-O
XLogP-1.28
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl(hydroxy)azanium nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl(hydroxy)azanium nitrate?
The IUPAC name of ethyl(hydroxy)azanium nitrate (CID 22114449) is ethyl(hydroxy)azanium nitrate.
What is the SMILES notation for ethyl(hydroxy)azanium nitrate?
The canonical SMILES for ethyl(hydroxy)azanium nitrate is CC[NH2+]O.O=[N+]([O-])[O-].
What is the InChIKey of ethyl(hydroxy)azanium nitrate?
The InChIKey is WXNHIUILTBABGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7NO.NO3/c1-2-3-4;2-1(3)4/h3-4H,2H2,1H3;/q;-1/p+1.
What are the key properties of ethyl(hydroxy)azanium nitrate?
ethyl(hydroxy)azanium nitrate has a molecular weight of 124.10 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(hydroxy)azanium nitrate is sourced from PubChem (CID 22114449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).