3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one

C15H13NO2 — CID 175999175

IUPAC3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
SMILESCOc1ccc2c(c1)C(=O)Cc1ccccc1N2
InChIInChI=1S/C15H13NO2/c1-18-11-6-7-14-12(9-11)15(17)8-10-4-2-3-5-13(10)16-14/h2-7,9,16H,8H2,1H3
InChIKeyZNBSZXRZKAVSMZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.18
Rot. Bonds1

About 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one

3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one (PubChem CID 175999175) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one.

Molecular Properties

Compound Name3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
PubChem CID175999175
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
SMILESCOc1ccc2c(c1)C(=O)Cc1ccccc1N2
InChIInChI=1S/C15H13NO2/c1-18-11-6-7-14-12(9-11)15(17)8-10-4-2-3-5-13(10)16-14/h2-7,9,16H,8H2,1H3
InChIKeyZNBSZXRZKAVSMZ-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one?
The IUPAC name of 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one (CID 175999175) is 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one.
What is the SMILES notation for 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one?
The canonical SMILES for 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one is COc1ccc2c(c1)C(=O)Cc1ccccc1N2.
What is the InChIKey of 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one?
The InChIKey is ZNBSZXRZKAVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-11-6-7-14-12(9-11)15(17)8-10-4-2-3-5-13(10)16-14/h2-7,9,16H,8H2,1H3.
What are the key properties of 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one?
3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one has a molecular weight of 239.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one is sourced from PubChem (CID 175999175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).