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922500-20-7 | 9-Azabicyclo[4.2.1]non-2-ene, 2-(5-pyrimidinyl)-, (1S,6S)-
CAS No: 922500-20-7 Catalog No: AG0061C4 MDL No:
Product Description
Catalog Number:
AG0061C4
Chemical Name:
9-Azabicyclo[4.2.1]non-2-ene, 2-(5-pyrimidinyl)-, (1S,6S)-
CAS Number:
922500-20-7
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
IUPAC Name:
(1S,6S)-2-pyrimidin-5-yl-9-azabicyclo[4.2.1]non-2-ene
InChI:
InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-13-8-14-7-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12-/m0/s1
InChI Key:
PAOZWTXNJKJBTG-JQWIXIFHSA-N
SMILES:
c1ncc(cn1)C1=CCC[C@@H]2N[C@H]1CC2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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