7-ethyl-2,6-dihydroazepin-5-one

C8H11NO — CID 90999673

IUPAC7-ethyl-2,6-dihydroazepin-5-one
SMILESCCC1=NCC=CC(=O)C1
InChIInChI=1S/C8H11NO/c1-2-7-6-8(10)4-3-5-9-7/h3-4H,2,5-6H2,1H3
InChIKeyYCUXXMMTKWMYCV-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.37
Rot. Bonds1

About 7-ethyl-2,6-dihydroazepin-5-one

7-ethyl-2,6-dihydroazepin-5-one (PubChem CID 90999673) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 7-ethyl-2,6-dihydroazepin-5-one.

Molecular Properties

Compound Name7-ethyl-2,6-dihydroazepin-5-one
PubChem CID90999673
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name7-ethyl-2,6-dihydroazepin-5-one
SMILESCCC1=NCC=CC(=O)C1
InChIInChI=1S/C8H11NO/c1-2-7-6-8(10)4-3-5-9-7/h3-4H,2,5-6H2,1H3
InChIKeyYCUXXMMTKWMYCV-UHFFFAOYSA-N
XLogP1.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,9-Dihydro-1-benzazepin-6-one
CID 57031443
(E)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)dec-2-en-4-one
CID 70990871
ethane;6-methyl-2H-pyridin-5-one
CID 91443223
(Z)-5-ethylimino-3-methylhept-2-en-4-one
CID 91558890
(Z)-3-methyl-5-methyliminohept-2-en-4-one
CID 91610518
(Z)-2-methyliminohept-4-en-3-one
CID 123385875
4-(2,3-Dihydropyridin-6-yl)butan-2-one
CID 134570591
(E)-1-(dimethylamino)-6-methyliminohept-2-en-4-one
CID 146703904

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,6-dihydroazepin-5-one?
The IUPAC name of 7-ethyl-2,6-dihydroazepin-5-one (CID 90999673) is 7-ethyl-2,6-dihydroazepin-5-one.
What is the SMILES notation for 7-ethyl-2,6-dihydroazepin-5-one?
The canonical SMILES for 7-ethyl-2,6-dihydroazepin-5-one is CCC1=NCC=CC(=O)C1.
What is the InChIKey of 7-ethyl-2,6-dihydroazepin-5-one?
The InChIKey is YCUXXMMTKWMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-7-6-8(10)4-3-5-9-7/h3-4H,2,5-6H2,1H3.
What are the key properties of 7-ethyl-2,6-dihydroazepin-5-one?
7-ethyl-2,6-dihydroazepin-5-one has a molecular weight of 137.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,6-dihydroazepin-5-one is sourced from PubChem (CID 90999673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).