1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone

C12H15NO — CID 10375247

IUPAC1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CNCCC2
InChIInChI=1S/C12H15NO/c1-9(14)11-5-4-10-3-2-6-13-8-12(10)7-11/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyFYVGABRCIPTHOW-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.92
Rot. Bonds1

About 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone

1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone (PubChem CID 10375247) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone
PubChem CID10375247
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CNCCC2
InChIInChI=1S/C12H15NO/c1-9(14)11-5-4-10-3-2-6-13-8-12(10)7-11/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyFYVGABRCIPTHOW-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
N-Ethyl-3-toluamide
CID 93103
3,4-Dimethylmethcathinone
CID 52988261
4-(Butylamino)naphthalene-1,2-dione
CID 3095210
1-(10-Azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)ethanone
CID 10130408
7-Methylisoquinolin-1(2H)-one
CID 15693876
2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
CID 11240655
7-Methyl-1,2,3,4-tetrahydroisoquinolin-1-one
CID 15507355
3,4-dimethyl-N-(2-oxo-3-azepanyl)benzamide
CID 2738681
2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide
CID 4779664
3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one
CID 10317424
3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)propan-1-one
CID 19108449

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone?
The IUPAC name of 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone (CID 10375247) is 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone.
What is the SMILES notation for 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone?
The canonical SMILES for 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone is CC(=O)c1ccc2c(c1)CNCCC2.
What is the InChIKey of 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone?
The InChIKey is FYVGABRCIPTHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14)11-5-4-10-3-2-6-13-8-12(10)7-11/h4-5,7,13H,2-3,6,8H2,1H3.
What are the key properties of 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone?
1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethanone is sourced from PubChem (CID 10375247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).