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

C16H21NO2 — CID 103165412

IUPAC7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(O)CC3CCC3)ccc2N1
InChIInChI=1S/C16H21NO2/c18-15(9-11-3-1-4-11)13-7-8-14-12(10-13)5-2-6-16(19)17-14/h7-8,10-11,15,18H,1-6,9H2,(H,17,19)
InChIKeyXCXXJNHTLCJYHP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds3

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

7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103165412) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103165412
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(O)CC3CCC3)ccc2N1
InChIInChI=1S/C16H21NO2/c18-15(9-11-3-1-4-11)13-7-8-14-12(10-13)5-2-6-16(19)17-14/h7-8,10-11,15,18H,1-6,9H2,(H,17,19)
InChIKeyXCXXJNHTLCJYHP-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
7-(1-chloro-2-cyclopropylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 83148962
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 103162813
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103165412) is 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(C(O)CC3CCC3)ccc2N1.
What is the InChIKey of 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is XCXXJNHTLCJYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(9-11-3-1-4-11)13-7-8-14-12(10-13)5-2-6-16(19)17-14/h7-8,10-11,15,18H,1-6,9H2,(H,17,19).
What are the key properties of 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103165412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).