About azidomethylcyclotetradecaheptaene
azidomethylcyclotetradecaheptaene (PubChem CID 155172056) has the molecular formula C15H15N3
and a molecular weight of 237.31 g/mol. Its IUPAC name is azidomethylcyclotetradecaheptaene.
Molecular Properties
| Compound Name | azidomethylcyclotetradecaheptaene |
|---|
| PubChem CID | 155172056 |
|---|
| Molecular Formula | C15H15N3 |
|---|
| Molecular Weight | 237.31 g/mol |
|---|
| Exact Mass | 237.13 |
|---|
| IUPAC Name | azidomethylcyclotetradecaheptaene |
|---|
| SMILES | [N-]=[N+]=NCc1ccccccccccccc1 |
|---|
| InChI | InChI=1S/C15H15N3/c16-18-17-14-15-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H,14H2/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12-,15-13+ |
|---|
| InChIKey | YRISBRNAQABFLM-LFGHUIENSA-N |
|---|
| XLogP | 4.75 |
|---|
| TPSA | 48.76 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 18 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 237.31 |
| LogP ≤ 5 | 4.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
|---|
Analyze azidomethylcyclotetradecaheptaene 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 azidomethylcyclotetradecaheptaene?
The IUPAC name of azidomethylcyclotetradecaheptaene (CID 155172056) is azidomethylcyclotetradecaheptaene.
What is the SMILES notation for azidomethylcyclotetradecaheptaene?
The canonical SMILES for azidomethylcyclotetradecaheptaene is [N-]=[N+]=NCc1ccccccccccccc1.
What is the InChIKey of azidomethylcyclotetradecaheptaene?
The InChIKey is YRISBRNAQABFLM-LFGHUIENSA-N. The full InChI is InChI=1S/C15H15N3/c16-18-17-14-15-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H,14H2/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12-,15-13+.
What are the key properties of azidomethylcyclotetradecaheptaene?
azidomethylcyclotetradecaheptaene has a molecular weight of 237.31 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethylcyclotetradecaheptaene is sourced from PubChem (CID 155172056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).