Home Nitriles 8-benzyl-2-oxo-8-azabicyclo[3.2.1]octane-6-carbonitrile

8-benzyl-2-oxo-8-azabicyclo[3.2.1]octane-6-carbonitrile

CAS No.:
1909317-57-2
Catalog Number:
AG01C2P7
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
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Product Description
Catalog Number:
AG01C2P7
Chemical Name:
8-benzyl-2-oxo-8-azabicyclo[3.2.1]octane-6-carbonitrile
CAS Number:
1909317-57-2
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD29762738
IUPAC Name:
8-benzyl-2-oxo-8-azabicyclo[3.2.1]octane-6-carbonitrile
InChI:
InChI=1S/C15H16N2O/c16-9-12-8-14-15(18)7-6-13(12)17(14)10-11-4-2-1-3-5-11/h1-5,12-14H,6-8,10H2
InChI Key:
TVYGDFUPJBRXFP-UHFFFAOYSA-N
SMILES:
N#CC1CC2N(C1CCC2=O)Cc1ccccc1
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties