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Home > Other Heterocycles > 162314-91-2
162314-91-2 | 2,5-Diazabicyclo[2.2.1]heptan-3-one, 5-(2-propen-1-yl)-
CAS No: 162314-91-2 Catalog No: AG001SZQ MDL No:
Product Description
Catalog Number:
AG001SZQ
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptan-3-one, 5-(2-propen-1-yl)-
CAS Number:
162314-91-2
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
5-prop-1-en-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one
InChI:
InChI=1S/C8H12N2O/c1-5(2)10-4-6-3-7(10)8(11)9-6/h6-7H,1,3-4H2,2H3,(H,9,11)
InChI Key:
BTQUUKKDJQGLRH-UHFFFAOYSA-N
SMILES:
C=CCN1CC2CC1C(=O)N2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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