1-phenyl-5H-1-benzazepine-2,4-dione

C16H13NO2 — CID 67618146

IUPAC1-phenyl-5H-1-benzazepine-2,4-dione
SMILESO=C1CC(=O)N(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H13NO2/c18-14-10-12-6-4-5-9-15(12)17(16(19)11-14)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyZPMIRJUYBJDZHI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.87
Rot. Bonds1

About 1-phenyl-5H-1-benzazepine-2,4-dione

1-phenyl-5H-1-benzazepine-2,4-dione (PubChem CID 67618146) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-phenyl-5H-1-benzazepine-2,4-dione.

Molecular Properties

Compound Name1-phenyl-5H-1-benzazepine-2,4-dione
PubChem CID67618146
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-phenyl-5H-1-benzazepine-2,4-dione
SMILESO=C1CC(=O)N(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C16H13NO2/c18-14-10-12-6-4-5-9-15(12)17(16(19)11-14)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyZPMIRJUYBJDZHI-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5H-1-benzazepine-2,4-dione?
The IUPAC name of 1-phenyl-5H-1-benzazepine-2,4-dione (CID 67618146) is 1-phenyl-5H-1-benzazepine-2,4-dione.
What is the SMILES notation for 1-phenyl-5H-1-benzazepine-2,4-dione?
The canonical SMILES for 1-phenyl-5H-1-benzazepine-2,4-dione is O=C1CC(=O)N(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 1-phenyl-5H-1-benzazepine-2,4-dione?
The InChIKey is ZPMIRJUYBJDZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-14-10-12-6-4-5-9-15(12)17(16(19)11-14)13-7-2-1-3-8-13/h1-9H,10-11H2.
What are the key properties of 1-phenyl-5H-1-benzazepine-2,4-dione?
1-phenyl-5H-1-benzazepine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5H-1-benzazepine-2,4-dione is sourced from PubChem (CID 67618146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).