5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H15NO — CID 14873022

IUPAC5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCC(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H15NO/c18-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17-16/h1-9,13H,10-11H2,(H,17,18)
InChIKeyQSRORRYDHGLQQZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.55
Rot. Bonds1

About 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 14873022) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID14873022
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCC(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H15NO/c18-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17-16/h1-9,13H,10-11H2,(H,17,18)
InChIKeyQSRORRYDHGLQQZ-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 14873022) is 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCC(c2ccccc2)c2ccccc2N1.
What is the InChIKey of 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is QSRORRYDHGLQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17-16/h1-9,13H,10-11H2,(H,17,18).
What are the key properties of 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 14873022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).