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

C17H17NO — CID 1479828

IUPAC1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-17-12-6-10-15-9-4-5-11-16(15)18(17)13-14-7-2-1-3-8-14/h1-5,7-9,11H,6,10,12-13H2
InChIKeyHLKHTLWDRXPRRV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.56
Rot. Bonds2

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

1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 1479828) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID1479828
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H17NO/c19-17-12-6-10-15-9-4-5-11-16(15)18(17)13-14-7-2-1-3-8-14/h1-5,7-9,11H,6,10,12-13H2
InChIKeyHLKHTLWDRXPRRV-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 1479828) is 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one is O=C1CCCc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is HLKHTLWDRXPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17-12-6-10-15-9-4-5-11-16(15)18(17)13-14-7-2-1-3-8-14/h1-5,7-9,11H,6,10,12-13H2.
What are the key properties of 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one?
1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 1479828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).