cerium(3+);pentanitrate;hydrate

H2CeN5O16-2 — CID 139249254

IUPACcerium(3+);pentanitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3]
InChIInChI=1S/Ce.5NO3.H2O/c;5*2-1(3)4;/h;;;;;;1H2/q+3;5*-1;
InChIKeyIQFZLDNVKKOBRL-UHFFFAOYSA-N
MW468.15 g/mol
LogP-2.02
Rot. Bonds

About cerium(3+);pentanitrate;hydrate

cerium(3+);pentanitrate;hydrate (PubChem CID 139249254) has the molecular formula H2CeN5O16-2 and a molecular weight of 468.15 g/mol. Its IUPAC name is cerium(3+);pentanitrate;hydrate.

Molecular Properties

Compound Namecerium(3+);pentanitrate;hydrate
PubChem CID139249254
Molecular FormulaH2CeN5O16-2
Molecular Weight468.15 g/mol
Exact Mass467.86
IUPAC Namecerium(3+);pentanitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3]
InChIInChI=1S/Ce.5NO3.H2O/c;5*2-1(3)4;/h;;;;;;1H2/q+3;5*-1;
InChIKeyIQFZLDNVKKOBRL-UHFFFAOYSA-N
XLogP-2.02
TPSA362.50 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.15
LogP ≤ 5-2.02
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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Frequently Asked Questions

What is the IUPAC name of cerium(3+);pentanitrate;hydrate?
The IUPAC name of cerium(3+);pentanitrate;hydrate (CID 139249254) is cerium(3+);pentanitrate;hydrate.
What is the SMILES notation for cerium(3+);pentanitrate;hydrate?
The canonical SMILES for cerium(3+);pentanitrate;hydrate is O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].
What is the InChIKey of cerium(3+);pentanitrate;hydrate?
The InChIKey is IQFZLDNVKKOBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/Ce.5NO3.H2O/c;5*2-1(3)4;/h;;;;;;1H2/q+3;5*-1;.
What are the key properties of cerium(3+);pentanitrate;hydrate?
cerium(3+);pentanitrate;hydrate has a molecular weight of 468.15 g/mol, XLogP of -2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);pentanitrate;hydrate is sourced from PubChem (CID 139249254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).