azane;ethyl nitrate

C2H8N2O3 — CID 87214856

IUPACazane;ethyl nitrate
SMILESCCO[N+](=O)[O-].N
InChIInChI=1S/C2H5NO3.H3N/c1-2-6-3(4)5;/h2H2,1H3;1H3
InChIKeyYIPVATRQFMILFY-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.38
Rot. Bonds2

About azane;ethyl nitrate

azane;ethyl nitrate (PubChem CID 87214856) has the molecular formula C2H8N2O3 and a molecular weight of 108.10 g/mol. Its IUPAC name is azane;ethyl nitrate.

Molecular Properties

Compound Nameazane;ethyl nitrate
PubChem CID87214856
Molecular FormulaC2H8N2O3
Molecular Weight108.10 g/mol
Exact Mass108.05
IUPAC Nameazane;ethyl nitrate
SMILESCCO[N+](=O)[O-].N
InChIInChI=1S/C2H5NO3.H3N/c1-2-6-3(4)5;/h2H2,1H3;1H3
InChIKeyYIPVATRQFMILFY-UHFFFAOYSA-N
XLogP0.38
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.38
H-Bond Donors ≤ 51
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'}

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Related Compounds

Ethyl Nitrite
CID 8026
Ethyl Nitrate
CID 12259
Diethoxy(oxo)azanium
CID 3366095
Ethoxy(methoxy)amine
CID 13149609
Ethyl nitrate;methyl nitrate
CID 21069616
Azane;ethyl nitrite
CID 22320950
O-ethylhydroxylamine;O-methylhydroxylamine
CID 23192870
Azane;diethoxy(oxo)azanium
CID 87214857
CID 87816665
CID 87816665
Diethoxy(oxo)azanium nitrate
CID 87921918
Azane;oxo(dipropoxy)azanium
CID 88197909
Ethoxyazanium nitrate
CID 88261247

Frequently Asked Questions

What is the IUPAC name of azane;ethyl nitrate?
The IUPAC name of azane;ethyl nitrate (CID 87214856) is azane;ethyl nitrate.
What is the SMILES notation for azane;ethyl nitrate?
The canonical SMILES for azane;ethyl nitrate is CCO[N+](=O)[O-].N.
What is the InChIKey of azane;ethyl nitrate?
The InChIKey is YIPVATRQFMILFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3.H3N/c1-2-6-3(4)5;/h2H2,1H3;1H3.
What are the key properties of azane;ethyl nitrate?
azane;ethyl nitrate has a molecular weight of 108.10 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl nitrate is sourced from PubChem (CID 87214856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).