1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one

C13H19NOSi — CID 134893395

IUPAC1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESC[Si](C)(C)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C13H19NOSi/c1-16(2,3)14-12-9-5-4-7-11(12)8-6-10-13(14)15/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyFFRZBAOYQMPCSL-UHFFFAOYSA-N
MW233.39 g/mol
LogP3.19
Rot. Bonds1

About 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one

1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 134893395) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID134893395
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESC[Si](C)(C)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C13H19NOSi/c1-16(2,3)14-12-9-5-4-7-11(12)8-6-10-13(14)15/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyFFRZBAOYQMPCSL-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
CID 11098803
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 56977746
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43165250
1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43329359
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
1-[2-(methylamino)butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 62041220

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 134893395) is 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one is C[Si](C)(C)N1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is FFRZBAOYQMPCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-16(2,3)14-12-9-5-4-7-11(12)8-6-10-13(14)15/h4-5,7,9H,6,8,10H2,1-3H3.
What are the key properties of 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one?
1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 233.39 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 134893395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).