1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

C16H15NO — CID 735931

IUPAC1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
SMILESCC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H15NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9H,10-11H2,1H3
InChIKeyQBSUAHGUFKVVTM-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.47
Rot. Bonds

About 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone (PubChem CID 735931) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
PubChem CID735931
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
SMILESCC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H15NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9H,10-11H2,1H3
InChIKeyQBSUAHGUFKVVTM-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
The IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone (CID 735931) is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone is CC(=O)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
The InChIKey is QBSUAHGUFKVVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone?
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone is sourced from PubChem (CID 735931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).