3-ethyl-1-benzazepin-2-one

C12H11NO — CID 57315274

IUPAC3-ethyl-1-benzazepin-2-one
SMILESCCc1ccc2ccccc2nc1=O
InChIInChI=1S/C12H11NO/c1-2-9-7-8-10-5-3-4-6-11(10)13-12(9)14/h3-8H,2H2,1H3
InChIKeyKZLWRRPMDPTRGE-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.16
Rot. Bonds1

About 3-ethyl-1-benzazepin-2-one

3-ethyl-1-benzazepin-2-one (PubChem CID 57315274) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-ethyl-1-benzazepin-2-one.

Molecular Properties

Compound Name3-ethyl-1-benzazepin-2-one
PubChem CID57315274
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-ethyl-1-benzazepin-2-one
SMILESCCc1ccc2ccccc2nc1=O
InChIInChI=1S/C12H11NO/c1-2-9-7-8-10-5-3-4-6-11(10)13-12(9)14/h3-8H,2H2,1H3
InChIKeyKZLWRRPMDPTRGE-UHFFFAOYSA-N
XLogP2.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzazepin-2-one
CID 20244764
Benzazoninone
CID 20269004
Cyclopenta[c]quinolin-4-one
CID 20502643
3-Methyl-oxoindole
CID 21477845
Cyclopenta-(b)-pyridinone
CID 129707027
3-Ethyl-6-(trifluoromethyl)-1-benzazepin-2-one
CID 21572534
3-(Trifluoromethyl)-1-benzazepin-2-one
CID 21645863
3,4-Dihydro-8-fluoro-7-methyl-2-oxo-1-benzazepine
CID 22101951
3-Fluoro-1-benzazepin-2-one
CID 87395462
3-Methyl-6-(trifluoromethyl)-1-benzazepin-2-one
CID 140350137
3-Prop-2-enyl-6-(trifluoromethyl)-1-benzazepin-2-one
CID 140350138
3-Methyl-7-(trifluoromethyl)-1-benzazepin-2-one
CID 140350139

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-benzazepin-2-one?
The IUPAC name of 3-ethyl-1-benzazepin-2-one (CID 57315274) is 3-ethyl-1-benzazepin-2-one.
What is the SMILES notation for 3-ethyl-1-benzazepin-2-one?
The canonical SMILES for 3-ethyl-1-benzazepin-2-one is CCc1ccc2ccccc2nc1=O.
What is the InChIKey of 3-ethyl-1-benzazepin-2-one?
The InChIKey is KZLWRRPMDPTRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-9-7-8-10-5-3-4-6-11(10)13-12(9)14/h3-8H,2H2,1H3.
What are the key properties of 3-ethyl-1-benzazepin-2-one?
3-ethyl-1-benzazepin-2-one has a molecular weight of 185.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-benzazepin-2-one is sourced from PubChem (CID 57315274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).