azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate

C2H11EuN4O12 — CID 174777974

IUPACazane;ethane-1,2-diol;europium(3+);trinitrate;hydrate
SMILESN.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].OCCO.[Eu+3]
InChIInChI=1S/C2H6O2.Eu.3NO3.H3N.H2O/c3-1-2-4;;3*2-1(3)4;;/h3-4H,1-2H2;;;;;1H3;1H2/q;+3;3*-1;;
InChIKeyFCFYQXDXOMAGOV-UHFFFAOYSA-N
MW435.09 g/mol
LogP-2.41
Rot. Bonds1

About azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate

azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate (PubChem CID 174777974) has the molecular formula C2H11EuN4O12 and a molecular weight of 435.09 g/mol. Its IUPAC name is azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate.

Molecular Properties

Compound Nameazane;ethane-1,2-diol;europium(3+);trinitrate;hydrate
PubChem CID174777974
Molecular FormulaC2H11EuN4O12
Molecular Weight435.09 g/mol
Exact Mass435.96
IUPAC Nameazane;ethane-1,2-diol;europium(3+);trinitrate;hydrate
SMILESN.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].OCCO.[Eu+3]
InChIInChI=1S/C2H6O2.Eu.3NO3.H3N.H2O/c3-1-2-4;;3*2-1(3)4;;/h3-4H,1-2H2;;;;;1H3;1H2/q;+3;3*-1;;
InChIKeyFCFYQXDXOMAGOV-UHFFFAOYSA-N
XLogP-2.41
TPSA305.56 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.09
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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CID 158381527
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CID 24983
silver;2-aminoethanol;nitrate
CID 86737465
europium(3+);nitric acid;trinitrate
CID 157102146
europium(3+);methanol;trinitrate
CID 174901506
propan-1-ol;bis(propan-1-olate);zirconium(4+);dinitrate;hydrate
CID 22492669
azanium;ethanol;nitrate
CID 172727764
erbium;dinitrate;pentahydrate
CID 172818140
cerium(3+);pentanitrate;hydrate
CID 139249254
dibismuth;hexanitrate;pentahydrate
CID 158893805
calcium;nitrate;hexahydrate
CID 22138076

Frequently Asked Questions

What is the IUPAC name of azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate?
The IUPAC name of azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate (CID 174777974) is azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate.
What is the SMILES notation for azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate?
The canonical SMILES for azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate is N.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].OCCO.[Eu+3].
What is the InChIKey of azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate?
The InChIKey is FCFYQXDXOMAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.Eu.3NO3.H3N.H2O/c3-1-2-4;;3*2-1(3)4;;/h3-4H,1-2H2;;;;;1H3;1H2/q;+3;3*-1;;.
What are the key properties of azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate?
azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate has a molecular weight of 435.09 g/mol, XLogP of -2.41, 1 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate is sourced from PubChem (CID 174777974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).