copper;cerium(3+);pentanitrate

CeCuN5O15 — CID 157222140

IUPACcopper;cerium(3+);pentanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[Cu+2]
InChIInChI=1S/Ce.Cu.5NO3/c;;5*2-1(3)4/q+3;+2;5*-1
InChIKeyATCROPQYRGZRGC-UHFFFAOYSA-N
MW513.68 g/mol
LogP-1.20
Rot. Bonds

About copper;cerium(3+);pentanitrate

copper;cerium(3+);pentanitrate (PubChem CID 157222140) has the molecular formula CeCuN5O15 and a molecular weight of 513.68 g/mol. Its IUPAC name is copper;cerium(3+);pentanitrate.

Molecular Properties

Compound Namecopper;cerium(3+);pentanitrate
PubChem CID157222140
Molecular FormulaCeCuN5O15
Molecular Weight513.68 g/mol
Exact Mass512.77
IUPAC Namecopper;cerium(3+);pentanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[Cu+2]
InChIInChI=1S/Ce.Cu.5NO3/c;;5*2-1(3)4/q+3;+2;5*-1
InChIKeyATCROPQYRGZRGC-UHFFFAOYSA-N
XLogP-1.20
TPSA331.00 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

copper;cobalt(2+);tetranitrate
CID 160967915
cerium(3+);hydroxide;nitrate
CID 23221009
aluminum;cerium(3+);dinitrate
CID 159601675
cerium(3+);pentanitrate;hydrate
CID 139249254
copper;nickel;dinitrate
CID 173128856
diazanium;copper;tetranitrate
CID 172846491
chloranium;copper;trinitrate
CID 172682071
copper;molybdenum(4+);hexanitrate
CID 161448139
copper;oxocopper;dinitrate
CID 158560469
europium(3+) trinitrate
CID 24983
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735

Frequently Asked Questions

What is the IUPAC name of copper;cerium(3+);pentanitrate?
The IUPAC name of copper;cerium(3+);pentanitrate (CID 157222140) is copper;cerium(3+);pentanitrate.
What is the SMILES notation for copper;cerium(3+);pentanitrate?
The canonical SMILES for copper;cerium(3+);pentanitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[Cu+2].
What is the InChIKey of copper;cerium(3+);pentanitrate?
The InChIKey is ATCROPQYRGZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/Ce.Cu.5NO3/c;;5*2-1(3)4/q+3;+2;5*-1.
What are the key properties of copper;cerium(3+);pentanitrate?
copper;cerium(3+);pentanitrate has a molecular weight of 513.68 g/mol, XLogP of -1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cerium(3+);pentanitrate is sourced from PubChem (CID 157222140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).