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Home Other Building Blocks 2-Azabicyclo[2.2.1]hept-5-en-3-one

2-Azabicyclo[2.2.1]hept-5-en-3-one

CAS No.:
49805-30-3
Catalog Number:
AG00334L
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$8
- +
25g
95%
In Stock USA
United States
$18
- +
500g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00334L
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-en-3-one
CAS Number:
49805-30-3
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00213364
IUPAC Name:
2-azabicyclo[2.2.1]hept-5-en-3-one
InChI:
InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)
InChI Key:
DDUFYKNOXPZZIW-UHFFFAOYSA-N
SMILES:
C1C2C=CC1NC2=O
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
2-Azabicyclo[2.2.1]hept-5-en-3-one: chemical profile of a versatile synthetic building block and its impact on the development of therapeutics. Chemical reviews 20120808
Promiscuous enantioselective (-)-γ-lactamase activity in the Pseudomonas fluorescens esterase I. Organic & biomolecular chemistry 20120507
Synthesis of neplanocin F analogues as potential antiviral agents. Bioorganic & medicinal chemistry 20061215
Synthesis of carbovir and abacavir from a carbocyclic precursor. Current protocols in nucleic acid chemistry 20060701
Electronic structure effects of amide group: Vince lactam. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050301
First synthesis of 2',3'-epimino-carbocyclic nucleosides. Organic & biomolecular chemistry 20030207
Properties