6-propanoyl-7H-benzo[d][2]benzazepin-5-one

C17H15NO2 — CID 659284

IUPAC6-propanoyl-7H-benzo[d][2]benzazepin-5-one
SMILESCCC(=O)N1Cc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-2-16(19)18-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17(18)20/h3-10H,2,11H2,1H3
InChIKeyNPORAUQTZGOFCZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.25
Rot. Bonds1

About 6-propanoyl-7H-benzo[d][2]benzazepin-5-one

6-propanoyl-7H-benzo[d][2]benzazepin-5-one (PubChem CID 659284) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-propanoyl-7H-benzo[d][2]benzazepin-5-one.

Molecular Properties

Compound Name6-propanoyl-7H-benzo[d][2]benzazepin-5-one
PubChem CID659284
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name6-propanoyl-7H-benzo[d][2]benzazepin-5-one
SMILESCCC(=O)N1Cc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-2-16(19)18-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17(18)20/h3-10H,2,11H2,1H3
InChIKeyNPORAUQTZGOFCZ-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-propanoyl-7H-benzo[d][2]benzazepin-5-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 6-propanoyl-7H-benzo[d][2]benzazepin-5-one?
The IUPAC name of 6-propanoyl-7H-benzo[d][2]benzazepin-5-one (CID 659284) is 6-propanoyl-7H-benzo[d][2]benzazepin-5-one.
What is the SMILES notation for 6-propanoyl-7H-benzo[d][2]benzazepin-5-one?
The canonical SMILES for 6-propanoyl-7H-benzo[d][2]benzazepin-5-one is CCC(=O)N1Cc2ccccc2-c2ccccc2C1=O.
What is the InChIKey of 6-propanoyl-7H-benzo[d][2]benzazepin-5-one?
The InChIKey is NPORAUQTZGOFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-16(19)18-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17(18)20/h3-10H,2,11H2,1H3.
What are the key properties of 6-propanoyl-7H-benzo[d][2]benzazepin-5-one?
6-propanoyl-7H-benzo[d][2]benzazepin-5-one has a molecular weight of 265.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propanoyl-7H-benzo[d][2]benzazepin-5-one is sourced from PubChem (CID 659284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).