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

C16H15NO — CID 102550817

IUPAC4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCC(c2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H15NO/c18-16-15-9-5-4-8-13(15)10-14(11-17-16)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,17,18)
InChIKeyMGBPQWZFLMTGHT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.76
Rot. Bonds1

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

4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 102550817) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID102550817
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCC(c2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H15NO/c18-16-15-9-5-4-8-13(15)10-14(11-17-16)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,17,18)
InChIKeyMGBPQWZFLMTGHT-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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formaldehyde;3-(4-phenylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 90836953
5-phenyldiazinan-3-one
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N-(3-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
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6-phenyl-6,7-dihydro-5H-quinolin-8-one
CID 12036201
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 102550817) is 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCC(c2ccccc2)Cc2ccccc21.
What is the InChIKey of 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is MGBPQWZFLMTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-15-9-5-4-8-13(15)10-14(11-17-16)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,17,18).
What are the key properties of 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 237.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 102550817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).