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

C15H20ClNO — CID 43168521

IUPAC1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1CCCCCCl
InChIInChI=1S/C15H20ClNO/c16-11-4-1-5-12-17-14-9-3-2-7-13(14)8-6-10-15(17)18/h2-3,7,9H,1,4-6,8,10-12H2
InChIKeyFKMKZJGKNIYPHC-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.77
Rot. Bonds5

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

1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 43168521) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID43168521
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1CCCCCCl
InChIInChI=1S/C15H20ClNO/c16-11-4-1-5-12-17-14-9-3-2-7-13(14)8-6-10-15(17)18/h2-3,7,9H,1,4-6,8,10-12H2
InChIKeyFKMKZJGKNIYPHC-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
1-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388012
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
4-(4-chlorobutyl)-6,7,8,9-tetrahydrothieno[3,2-b]azocin-5-one
CID 19881040
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474972
1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 104863706
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 43168521) is 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one is O=C1CCCc2ccccc2N1CCCCCCl.
What is the InChIKey of 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is FKMKZJGKNIYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-11-4-1-5-12-17-14-9-3-2-7-13(14)8-6-10-15(17)18/h2-3,7,9H,1,4-6,8,10-12H2.
What are the key properties of 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one?
1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 265.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 43168521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).