About 1,2-dihydro-3-benzazepin-6-one
1,2-dihydro-3-benzazepin-6-one (PubChem CID 70203070) has the molecular formula C10H9NO
and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,2-dihydro-3-benzazepin-6-one.
Molecular Properties
| Compound Name | 1,2-dihydro-3-benzazepin-6-one |
|---|
| PubChem CID | 70203070 |
|---|
| Molecular Formula | C10H9NO |
|---|
| Molecular Weight | 159.19 g/mol |
|---|
| Exact Mass | 159.07 |
|---|
| IUPAC Name | 1,2-dihydro-3-benzazepin-6-one |
|---|
| SMILES | O=C1C=CC=C2CCN=CC=C12 |
|---|
| InChI | InChI=1S/C10H9NO/c12-10-3-1-2-8-4-6-11-7-5-9(8)10/h1-3,5,7H,4,6H2 |
|---|
| InChIKey | UQORMMJDQVDGDP-UHFFFAOYSA-N |
|---|
| XLogP | 1.45 |
|---|
| TPSA | 29.43 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 | 159.19 |
| LogP ≤ 5 | 1.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 1,2-dihydro-3-benzazepin-6-one 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 1,2-dihydro-3-benzazepin-6-one?
The IUPAC name of 1,2-dihydro-3-benzazepin-6-one (CID 70203070) is 1,2-dihydro-3-benzazepin-6-one.
What is the SMILES notation for 1,2-dihydro-3-benzazepin-6-one?
The canonical SMILES for 1,2-dihydro-3-benzazepin-6-one is O=C1C=CC=C2CCN=CC=C12.
What is the InChIKey of 1,2-dihydro-3-benzazepin-6-one?
The InChIKey is UQORMMJDQVDGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-3-1-2-8-4-6-11-7-5-9(8)10/h1-3,5,7H,4,6H2.
What are the key properties of 1,2-dihydro-3-benzazepin-6-one?
1,2-dihydro-3-benzazepin-6-one has a molecular weight of 159.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydro-3-benzazepin-6-one is sourced from PubChem (CID 70203070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).