copper 1-nitroethanol

C2H5CuNO3+2 — CID 87244389

IUPACcopper 1-nitroethanol
SMILESCC(O)[N+](=O)[O-].[Cu+2]
InChIInChI=1S/C2H5NO3.Cu/c1-2(4)3(5)6;/h2,4H,1H3;/q;+2
InChIKeySZAACFFMLHDUAC-UHFFFAOYSA-N
MW154.61 g/mol
LogP-0.40
Rot. Bonds1

About copper 1-nitroethanol

copper 1-nitroethanol (PubChem CID 87244389) has the molecular formula C2H5CuNO3+2 and a molecular weight of 154.61 g/mol. Its IUPAC name is copper 1-nitroethanol.

Molecular Properties

Compound Namecopper 1-nitroethanol
PubChem CID87244389
Molecular FormulaC2H5CuNO3+2
Molecular Weight154.61 g/mol
Exact Mass153.96
IUPAC Namecopper 1-nitroethanol
SMILESCC(O)[N+](=O)[O-].[Cu+2]
InChIInChI=1S/C2H5NO3.Cu/c1-2(4)3(5)6;/h2,4H,1H3;/q;+2
InChIKeySZAACFFMLHDUAC-UHFFFAOYSA-N
XLogP-0.40
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.61
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-nitroethanol
CID 88789428
(2R)-3-nitrobutan-2-ol
CID 57132293
magnesium;propan-2-ol;dinitrate
CID 172773063
sodium;propane-1,2-diol;nitrate
CID 174898627
propane-1,2-diol;yttrium(3+);trinitrate
CID 172735884
1-aminoethanol;bis(nitric acid)
CID 173099484
copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate
CID 5351947
2-hydroxy-3-nitrobutanoic acid
CID 55299089
(2R)-3-nitropentan-2-ol
CID 57147135
[(2R)-2-hydroxypropyl] nitrate
CID 123944306
2-methylbutane;nitric acid
CID 158412732
2-methyl-3-nitrobutane
CID 13185641

Frequently Asked Questions

What is the IUPAC name of copper 1-nitroethanol?
The IUPAC name of copper 1-nitroethanol (CID 87244389) is copper 1-nitroethanol.
What is the SMILES notation for copper 1-nitroethanol?
The canonical SMILES for copper 1-nitroethanol is CC(O)[N+](=O)[O-].[Cu+2].
What is the InChIKey of copper 1-nitroethanol?
The InChIKey is SZAACFFMLHDUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3.Cu/c1-2(4)3(5)6;/h2,4H,1H3;/q;+2.
What are the key properties of copper 1-nitroethanol?
copper 1-nitroethanol has a molecular weight of 154.61 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper 1-nitroethanol is sourced from PubChem (CID 87244389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).