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Home > Other Heterocycles > 68066-55-7
68066-55-7 | 3-(propan-2-yl)-3-azabicyclo[3.3.1]nonan-9-one
CAS No: 68066-55-7 Catalog No: AG019UNT MDL No:MFCD13806388
Product Description
Catalog Number:
AG019UNT
Chemical Name:
3-(propan-2-yl)-3-azabicyclo[3.3.1]nonan-9-one
CAS Number:
68066-55-7
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
MDL Number:
MFCD13806388
IUPAC Name:
3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C11H19NO/c1-8(2)12-6-9-4-3-5-10(7-12)11(9)13/h8-10H,3-7H2,1-2H3
InChI Key:
XJMQPSKRAIRWLP-UHFFFAOYSA-N
SMILES:
CC(N1CC2CCCC(C1)C2=O)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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