(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H15NO — CID 51669604

IUPAC(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CC[C@@H](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)/t13-/m0/s1
InChIKeyQSRORRYDHGLQQZ-ZDUSSCGKSA-N
MW237.30 g/mol
LogP3.55
Rot. Bonds1

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

(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 51669604) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID51669604
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CC[C@@H](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)/t13-/m0/s1
InChIKeyQSRORRYDHGLQQZ-ZDUSSCGKSA-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 (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 51669604) is (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CC[C@@H](c2ccccc2)c2ccccc2N1.
What is the InChIKey of (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is QSRORRYDHGLQQZ-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
(5S)-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 (5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 51669604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).