cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C17H23NO2 — CID 104537371

IUPACcyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCCC(O)c2ccccc21
InChIInChI=1S/C17H23NO2/c19-16-11-6-12-18(15-10-5-4-9-14(15)16)17(20)13-7-2-1-3-8-13/h4-5,9-10,13,16,19H,1-3,6-8,11-12H2
InChIKeyXYNBAGIKEDWPOW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.43
Rot. Bonds1

About cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 104537371) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID104537371
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namecyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCCC(O)c2ccccc21
InChIInChI=1S/C17H23NO2/c19-16-11-6-12-18(15-10-5-4-9-14(15)16)17(20)13-7-2-1-3-8-13/h4-5,9-10,13,16,19H,1-3,6-8,11-12H2
InChIKeyXYNBAGIKEDWPOW-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826290
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-morpholin-4-ylmethanone
CID 114337465
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114337455
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110636855
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
CID 110636324
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methoxyethanone
CID 104537325
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 114337478
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 110636327
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114337443

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 104537371) is cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is O=C(C1CCCCC1)N1CCCC(O)c2ccccc21.
What is the InChIKey of cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is XYNBAGIKEDWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16-11-6-12-18(15-10-5-4-9-14(15)16)17(20)13-7-2-1-3-8-13/h4-5,9-10,13,16,19H,1-3,6-8,11-12H2.
What are the key properties of cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 104537371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).