About 7-methyl-4,5-dihydro-3,1-benzoxazepine
7-methyl-4,5-dihydro-3,1-benzoxazepine (PubChem CID 143526326) has the molecular formula C10H11NO
and a molecular weight of 161.20 g/mol. Its IUPAC name is 7-methyl-4,5-dihydro-3,1-benzoxazepine.
Molecular Properties
| Compound Name | 7-methyl-4,5-dihydro-3,1-benzoxazepine |
|---|
| PubChem CID | 143526326 |
|---|
| Molecular Formula | C10H11NO |
|---|
| Molecular Weight | 161.20 g/mol |
|---|
| Exact Mass | 161.08 |
|---|
| IUPAC Name | 7-methyl-4,5-dihydro-3,1-benzoxazepine |
|---|
| SMILES | Cc1ccc2c(c1)CCOC=N2 |
|---|
| InChI | InChI=1S/C10H11NO/c1-8-2-3-10-9(6-8)4-5-12-7-11-10/h2-3,6-7H,4-5H2,1H3 |
|---|
| InChIKey | CXAGYYWDVHSONR-UHFFFAOYSA-N |
|---|
| XLogP | 2.23 |
|---|
| TPSA | 21.59 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 12 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 161.20 |
| LogP ≤ 5 | 2.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 7-methyl-4,5-dihydro-3,1-benzoxazepine 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 7-methyl-4,5-dihydro-3,1-benzoxazepine?
The IUPAC name of 7-methyl-4,5-dihydro-3,1-benzoxazepine (CID 143526326) is 7-methyl-4,5-dihydro-3,1-benzoxazepine.
What is the SMILES notation for 7-methyl-4,5-dihydro-3,1-benzoxazepine?
The canonical SMILES for 7-methyl-4,5-dihydro-3,1-benzoxazepine is Cc1ccc2c(c1)CCOC=N2.
What is the InChIKey of 7-methyl-4,5-dihydro-3,1-benzoxazepine?
The InChIKey is CXAGYYWDVHSONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-2-3-10-9(6-8)4-5-12-7-11-10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-methyl-4,5-dihydro-3,1-benzoxazepine?
7-methyl-4,5-dihydro-3,1-benzoxazepine has a molecular weight of 161.20 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5-dihydro-3,1-benzoxazepine is sourced from PubChem (CID 143526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).