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Home > Other Heterocycles > 880637-66-1
880637-66-1 | 1-Azabicyclo[2.2.2]octan-3-one, 2-[(3-methoxyphenyl)methylene]-, (2Z)-
CAS No: 880637-66-1 Catalog No: AG004L8Y MDL No:
Product Description
Catalog Number:
AG004L8Y
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-one, 2-[(3-methoxyphenyl)methylene]-, (2Z)-
CAS Number:
880637-66-1
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
2-[(3-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C15H17NO2/c1-18-13-4-2-3-11(9-13)10-14-15(17)12-5-7-16(14)8-6-12/h2-4,9-10,12H,5-8H2,1H3
InChI Key:
ZZNHZPHLEIMJPC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)/C=C/1\N2CCC(C1=O)CC2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| (Z)-2-(3-methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one. | Acta crystallographica. Section C, Crystal structure communications 20051101 |
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