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

C16H15NO — CID 67916203

IUPAC5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one
SMILESO=C1CNc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C16H15NO/c18-13-10-15(12-6-2-1-3-7-12)14-8-4-5-9-16(14)17-11-13/h1-9,15,17H,10-11H2
InChIKeyNLIIUIRKCMDUPR-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.20
Rot. Bonds1

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

5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one (PubChem CID 67916203) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one.

Molecular Properties

Compound Name5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one
PubChem CID67916203
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one
SMILESO=C1CNc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C16H15NO/c18-13-10-15(12-6-2-1-3-7-12)14-8-4-5-9-16(14)17-11-13/h1-9,15,17H,10-11H2
InChIKeyNLIIUIRKCMDUPR-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one?
The IUPAC name of 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one (CID 67916203) is 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one.
What is the SMILES notation for 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one?
The canonical SMILES for 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one is O=C1CNc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one?
The InChIKey is NLIIUIRKCMDUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-13-10-15(12-6-2-1-3-7-12)14-8-4-5-9-16(14)17-11-13/h1-9,15,17H,10-11H2.
What are the key properties of 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one?
5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one has a molecular weight of 237.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2,4,5-tetrahydro-1-benzazepin-3-one is sourced from PubChem (CID 67916203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).