Home Other Building Blocks 5,5-dimethylazepan-2-one

5,5-dimethylazepan-2-one

CAS No.:
62596-04-7
Catalog Number:
AG01AKYH
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
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Product Description
Catalog Number:
AG01AKYH
Chemical Name:
5,5-dimethylazepan-2-one
CAS Number:
62596-04-7
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
MDL Number:
MFCD19217766
IUPAC Name:
5,5-dimethylazepan-2-one
InChI:
InChI=1S/C8H15NO/c1-8(2)4-3-7(10)9-6-5-8/h3-6H2,1-2H3,(H,9,10)
InChI Key:
PLCFEDJJWIYOSK-UHFFFAOYSA-N
SMILES:
O=C1NCCC(CC1)(C)C
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Substituted 2-oxo-azepane derivatives are potent, orally active gamma-secretase inhibitors. Bioorganic & medicinal chemistry letters 20080101
Properties