About molecular nitrogen
molecular nitrogen (PubChem CID 947) has the molecular formula N2
and a molecular weight of 28.01 g/mol. Its IUPAC name is molecular nitrogen.
Molecular Properties
| Compound Name | molecular nitrogen |
| PubChem CID | 947 |
| Molecular Formula | N2 |
| Molecular Weight | 28.01 g/mol |
| Exact Mass | 28.01 |
| IUPAC Name | molecular nitrogen |
| SMILES | N#N |
| InChI | InChI=1S/N2/c1-2 |
| InChIKey | IJGRMHOSHXDMSA-UHFFFAOYSA-N |
| XLogP | 0.03 |
| TPSA | 47.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | |
| Heavy Atoms | 2 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 28.01 |
| LogP ≤ 5 | 0.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Azo_group', 'substructure': 'N/A'} |
|---|
Analyze molecular nitrogen 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 molecular nitrogen?
The IUPAC name of molecular nitrogen (CID 947) is molecular nitrogen.
What is the SMILES notation for molecular nitrogen?
The canonical SMILES for molecular nitrogen is N#N.
What is the InChIKey of molecular nitrogen?
The InChIKey is IJGRMHOSHXDMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/N2/c1-2.
What are the key properties of molecular nitrogen?
molecular nitrogen has a molecular weight of 28.01 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen is sourced from PubChem (CID 947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).