2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one

C15H19NO2 — CID 104526095

IUPAC2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCCC(=O)C(C)N1CCCc2ccccc2C1=O
InChIInChI=1S/C15H19NO2/c1-3-14(17)11(2)16-10-6-8-12-7-4-5-9-13(12)15(16)18/h4-5,7,9,11H,3,6,8,10H2,1-2H3
InChIKeyYBMOPJDDMDGOLG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds3

About 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one

2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 104526095) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID104526095
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCCC(=O)C(C)N1CCCc2ccccc2C1=O
InChIInChI=1S/C15H19NO2/c1-3-14(17)11(2)16-10-6-8-12-7-4-5-9-13(12)15(16)18/h4-5,7,9,11H,3,6,8,10H2,1-2H3
InChIKeyYBMOPJDDMDGOLG-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2-(3-oxopentan-2-yl)-4H-isoquinoline-1,3-dione
CID 64866505
tert-butyl 2-(1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate
CID 66337936
2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525202
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
2-(2,3-dihydroxypropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422849
2-[2-methyl-3-(methylamino)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422900
2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one
CID 20772326
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one (CID 104526095) is 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one is CCC(=O)C(C)N1CCCc2ccccc2C1=O.
What is the InChIKey of 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is YBMOPJDDMDGOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-14(17)11(2)16-10-6-8-12-7-4-5-9-13(12)15(16)18/h4-5,7,9,11H,3,6,8,10H2,1-2H3.
What are the key properties of 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one?
2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopentan-2-yl)-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 104526095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).