Home Other Building Blocks 3,8-Diazabicyclo[3.2.1]octan-2-one

3,8-Diazabicyclo[3.2.1]octan-2-one

CAS No.:
22315-17-9
Catalog Number:
AG00BPHH
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$667
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Product Description
Catalog Number:
AG00BPHH
Chemical Name:
3,8-Diazabicyclo[3.2.1]octan-2-one
CAS Number:
22315-17-9
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD19221685
IUPAC Name:
3,8-diazabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C6H10N2O/c9-6-5-2-1-4(8-5)3-7-6/h4-5,8H,1-3H2,(H,7,9)
InChI Key:
GTHHTBKYROANEX-UHFFFAOYSA-N
SMILES:
O=C1NCC2NC1CC2
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
3,8-Diazabicyclo[3.2.1]octan-2-one peptide mimetics: synthesis of a conformationally restricted inhibitor of farnesyltransferase. Organic letters 20010322
Properties