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Home > Other Heterocycles > 87581-37-1
87581-37-1 | 2,6-Diazabicyclo[2.2.2]octane-3,5-dione, 1-methyl-
CAS No: 87581-37-1 Catalog No: AG004MBW MDL No:MFCD00128180
Product Description
Catalog Number:
AG004MBW
Chemical Name:
2,6-Diazabicyclo[2.2.2]octane-3,5-dione, 1-methyl-
CAS Number:
87581-37-1
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD00128180
IUPAC Name:
1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
InChI:
InChI=1S/C7H10N2O2/c1-7-3-2-4(5(10)8-7)6(11)9-7/h4H,2-3H2,1H3,(H,8,10)(H,9,11)
InChI Key:
ZZRIPCBNLXIKDA-UHFFFAOYSA-N
SMILES:
O=C1NC2(C)CCC1C(=O)N2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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