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Home > Other Heterocycles > 87206-02-8
87206-02-8 | 9-Azabicyclo[3.3.1]nonan-3-one, 1-methyl-
CAS No: 87206-02-8 Catalog No: AG004RRW MDL No:
Product Description
Catalog Number:
AG004RRW
Chemical Name:
9-Azabicyclo[3.3.1]nonan-3-one, 1-methyl-
CAS Number:
87206-02-8
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
IUPAC Name:
1-methyl-9-azabicyclo[3.3.1]nonan-3-one
InChI:
InChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3
InChI Key:
BWXDELRNNYLLKB-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC(C1)(N2)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Biparental endowment of endogenous defensive alkaloids in Epilachna paenulata. | Journal of chemical ecology 20090101 |
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