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Home > Other Heterocycles > 100715-61-5
100715-61-5 | 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxamide
CAS No: 100715-61-5 Catalog No: AG0002PN MDL No:
Product Description
Catalog Number:
AG0002PN
Chemical Name:
1-Azabicyclo[2.2.2]oct-2-ene-3-carboxamide
CAS Number:
100715-61-5
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
1-azabicyclo[2.2.2]oct-2-ene-3-carboxamide
InChI:
InChI=1S/C8H12N2O/c9-8(11)7-5-10-3-1-6(7)2-4-10/h5-6H,1-4H2,(H2,9,11)
InChI Key:
QLVHRZPCTKRFSO-UHFFFAOYSA-N
SMILES:
NC(=O)C1=CN2CCC1CC2
Properties
Complexity:
214
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:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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