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Home > Other Heterocycles > 97278-42-7
97278-42-7 | 3,9-Diazabicyclo[3.3.2]decan-10-one
CAS No: 97278-42-7 Catalog No: AG019FRD MDL No:MFCD10686961
Product Description
Catalog Number:
AG019FRD
Chemical Name:
3,9-Diazabicyclo[3.3.2]decan-10-one
CAS Number:
97278-42-7
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD10686961
IUPAC Name:
(1S,5R)-3,9-diazabicyclo[3.3.2]decan-10-one
InChI:
InChI=1S/C8H14N2O/c11-8-6-2-1-3-7(10-8)5-9-4-6/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m1/s1
InChI Key:
BWZHYLDHEREEEC-RQJHMYQMSA-N
SMILES:
O=C1N[C@H]2CCC[C@@H]1CNC2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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