11H-benzo[b][1]benzazepin-3-ol

C14H11NO — CID 13103864

IUPAC11H-benzo[b][1]benzazepin-3-ol
SMILESOc1ccc2c(c1)C=Cc1ccccc1N2
InChIInChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H
InChIKeyFKCUOSGTQJAUQX-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.62
Rot. Bonds

About 11H-benzo[b][1]benzazepin-3-ol

11H-benzo[b][1]benzazepin-3-ol (PubChem CID 13103864) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 11H-benzo[b][1]benzazepin-3-ol.

Molecular Properties

Compound Name11H-benzo[b][1]benzazepin-3-ol
PubChem CID13103864
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name11H-benzo[b][1]benzazepin-3-ol
SMILESOc1ccc2c(c1)C=Cc1ccccc1N2
InChIInChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H
InChIKeyFKCUOSGTQJAUQX-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b][1]benzazepin-3-ol?
The IUPAC name of 11H-benzo[b][1]benzazepin-3-ol (CID 13103864) is 11H-benzo[b][1]benzazepin-3-ol.
What is the SMILES notation for 11H-benzo[b][1]benzazepin-3-ol?
The canonical SMILES for 11H-benzo[b][1]benzazepin-3-ol is Oc1ccc2c(c1)C=Cc1ccccc1N2.
What is the InChIKey of 11H-benzo[b][1]benzazepin-3-ol?
The InChIKey is FKCUOSGTQJAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H.
What are the key properties of 11H-benzo[b][1]benzazepin-3-ol?
11H-benzo[b][1]benzazepin-3-ol has a molecular weight of 209.25 g/mol, XLogP of 3.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b][1]benzazepin-3-ol is sourced from PubChem (CID 13103864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).