7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H21NO2 — CID 61082820

IUPAC7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCCCC(O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C15H21NO2/c1-2-3-6-14(17)12-8-9-13-11(10-12)5-4-7-15(18)16-13/h8-10,14,17H,2-7H2,1H3,(H,16,18)
InChIKeyJWFCZOUDGSJBLW-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.18
Rot. Bonds4

About 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 61082820) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID61082820
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCCCC(O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C15H21NO2/c1-2-3-6-14(17)12-8-9-13-11(10-12)5-4-7-15(18)16-13/h8-10,14,17H,2-7H2,1H3,(H,16,18)
InChIKeyJWFCZOUDGSJBLW-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103165412
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61080673
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46282011
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114753375

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 61082820) is 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is CCCCC(O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is JWFCZOUDGSJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-6-14(17)12-8-9-13-11(10-12)5-4-7-15(18)16-13/h8-10,14,17H,2-7H2,1H3,(H,16,18).
What are the key properties of 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 61082820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).