About neodymium;nitrate;pentahydrate
neodymium;nitrate;pentahydrate (PubChem CID 173320281) has the molecular formula H10NNdO8-
and a molecular weight of 296.32 g/mol. Its IUPAC name is neodymium;nitrate;pentahydrate.
Molecular Properties
| Compound Name | neodymium;nitrate;pentahydrate |
| PubChem CID | 173320281 |
| Molecular Formula | H10NNdO8- |
| Molecular Weight | 296.32 g/mol |
| Exact Mass | 293.95 |
| IUPAC Name | neodymium;nitrate;pentahydrate |
| SMILES | O.O.O.O.O.O=[N+]([O-])[O-].[Nd] |
| InChI | InChI=1S/NO3.Nd.5H2O/c2-1(3)4;;;;;;/h;;5*1H2/q-1;;;;;; |
| InChIKey | BEHMBFNTZVFKDX-UHFFFAOYSA-N |
| XLogP | -4.36 |
| TPSA | 223.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 296.32 |
| LogP ≤ 5 | -4.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze neodymium;nitrate;pentahydrate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of neodymium;nitrate;pentahydrate?
The IUPAC name of neodymium;nitrate;pentahydrate (CID 173320281) is neodymium;nitrate;pentahydrate.
What is the SMILES notation for neodymium;nitrate;pentahydrate?
The canonical SMILES for neodymium;nitrate;pentahydrate is O.O.O.O.O.O=[N+]([O-])[O-].[Nd].
What is the InChIKey of neodymium;nitrate;pentahydrate?
The InChIKey is BEHMBFNTZVFKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/NO3.Nd.5H2O/c2-1(3)4;;;;;;/h;;5*1H2/q-1;;;;;;.
What are the key properties of neodymium;nitrate;pentahydrate?
neodymium;nitrate;pentahydrate has a molecular weight of 296.32 g/mol, XLogP of -4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;nitrate;pentahydrate is sourced from PubChem (CID 173320281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).