copper;ethyl nitrate

C2H5CuNO3 — CID 146280081

IUPACcopper;ethyl nitrate
SMILESCCO[N+](=O)[O-].[Cu]
InChIInChI=1S/C2H5NO3.Cu/c1-2-6-3(4)5;/h2H2,1H3;
InChIKeyDIEYKFUQANLIKO-UHFFFAOYSA-N
MW154.61 g/mol
LogP0.21
Rot. Bonds2

About copper;ethyl nitrate

copper;ethyl nitrate (PubChem CID 146280081) has the molecular formula C2H5CuNO3 and a molecular weight of 154.61 g/mol. Its IUPAC name is copper;ethyl nitrate.

Molecular Properties

Compound Namecopper;ethyl nitrate
PubChem CID146280081
Molecular FormulaC2H5CuNO3
Molecular Weight154.61 g/mol
Exact Mass153.96
IUPAC Namecopper;ethyl nitrate
SMILESCCO[N+](=O)[O-].[Cu]
InChIInChI=1S/C2H5NO3.Cu/c1-2-6-3(4)5;/h2H2,1H3;
InChIKeyDIEYKFUQANLIKO-UHFFFAOYSA-N
XLogP0.21
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.61
LogP ≤ 50.21
H-Bond Donors ≤ 50
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'}

Analyze copper;ethyl nitrate with MolForge

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

Launch Full Analysis

Related Compounds

diethoxy(oxo)azanium hydroxide
CID 88727987
2-nitrobutyl nitrate
CID 54181921
methylaminomethyl nitrate
CID 59287819
phosphane;tetradecyl nitrate
CID 174825024
[(2R)-2-hydroxypropyl] nitrate
CID 123944306
3-methylbut-2-enyl nitrate
CID 10219448
bis(1,3-dinitrooxypropan-2-yl nitrate);ethanol
CID 174833415
azanium;ethanol;nitrate
CID 172727764
2-(1-nitrooxypropan-2-yloxy)propyl nitrate
CID 142775716
methoxy-(2-nitrooxyethoxy)-oxoazanium
CID 90990093
methoxymethyl nitrate;methyl nitrate;hydroiodide
CID 161097007
2-methylhexyl nitrate
CID 14767741

Frequently Asked Questions

What is the IUPAC name of copper;ethyl nitrate?
The IUPAC name of copper;ethyl nitrate (CID 146280081) is copper;ethyl nitrate.
What is the SMILES notation for copper;ethyl nitrate?
The canonical SMILES for copper;ethyl nitrate is CCO[N+](=O)[O-].[Cu].
What is the InChIKey of copper;ethyl nitrate?
The InChIKey is DIEYKFUQANLIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3.Cu/c1-2-6-3(4)5;/h2H2,1H3;.
What are the key properties of copper;ethyl nitrate?
copper;ethyl nitrate has a molecular weight of 154.61 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethyl nitrate is sourced from PubChem (CID 146280081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).