1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one

C17H17NO — CID 102481054

IUPAC1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one
SMILESO=C1CCN(Cc2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H17NO/c19-16-10-11-18(13-14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-16/h1-9H,10-13H2
InChIKeyKVJLNCRWJLZYNL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.21
Rot. Bonds2

About 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one

1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one (PubChem CID 102481054) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one.

Molecular Properties

Compound Name1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one
PubChem CID102481054
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one
SMILESO=C1CCN(Cc2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H17NO/c19-16-10-11-18(13-14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-16/h1-9H,10-13H2
InChIKeyKVJLNCRWJLZYNL-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one?
The IUPAC name of 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one (CID 102481054) is 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one.
What is the SMILES notation for 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one?
The canonical SMILES for 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one is O=C1CCN(Cc2ccccc2)c2ccccc2C1.
What is the InChIKey of 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one?
The InChIKey is KVJLNCRWJLZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-16-10-11-18(13-14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-16/h1-9H,10-13H2.
What are the key properties of 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one?
1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one has a molecular weight of 251.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one is sourced from PubChem (CID 102481054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).