7,8-dihydrobenzo[b][1]benzazepin-6-one

C14H11NO — CID 154231237

IUPAC7,8-dihydrobenzo[b][1]benzazepin-6-one
SMILESO=c1cc2ccccc2nc2c1CCC=C2
InChIInChI=1S/C14H11NO/c16-14-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14/h1,3-5,7-9H,2,6H2
InChIKeyOBZVIZZKSWRZKL-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.55
Rot. Bonds

About 7,8-dihydrobenzo[b][1]benzazepin-6-one

7,8-dihydrobenzo[b][1]benzazepin-6-one (PubChem CID 154231237) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 7,8-dihydrobenzo[b][1]benzazepin-6-one.

Molecular Properties

Compound Name7,8-dihydrobenzo[b][1]benzazepin-6-one
PubChem CID154231237
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name7,8-dihydrobenzo[b][1]benzazepin-6-one
SMILESO=c1cc2ccccc2nc2c1CCC=C2
InChIInChI=1S/C14H11NO/c16-14-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14/h1,3-5,7-9H,2,6H2
InChIKeyOBZVIZZKSWRZKL-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrobenzo[b][1]benzazepin-6-one?
The IUPAC name of 7,8-dihydrobenzo[b][1]benzazepin-6-one (CID 154231237) is 7,8-dihydrobenzo[b][1]benzazepin-6-one.
What is the SMILES notation for 7,8-dihydrobenzo[b][1]benzazepin-6-one?
The canonical SMILES for 7,8-dihydrobenzo[b][1]benzazepin-6-one is O=c1cc2ccccc2nc2c1CCC=C2.
What is the InChIKey of 7,8-dihydrobenzo[b][1]benzazepin-6-one?
The InChIKey is OBZVIZZKSWRZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-14-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14/h1,3-5,7-9H,2,6H2.
What are the key properties of 7,8-dihydrobenzo[b][1]benzazepin-6-one?
7,8-dihydrobenzo[b][1]benzazepin-6-one has a molecular weight of 209.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrobenzo[b][1]benzazepin-6-one is sourced from PubChem (CID 154231237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).