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Home > Pyridines > 1422067-08-0
1422067-08-0 | (3aR,6aS)-5-pyridin-3-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
CAS No: 1422067-08-0 Catalog No: AG01DJ60 MDL No:
Product Description
Catalog Number:
AG01DJ60
Chemical Name:
(3aR,6aS)-5-pyridin-3-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
CAS Number:
1422067-08-0
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
(3aR,6aS)-5-pyridin-3-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
InChI:
InChI=1S/C11H13N3O/c15-11-10-6-13-4-8(10)7-14(11)9-2-1-3-12-5-9/h1-3,5,8,10,13H,4,6-7H2/t8-,10-/m0/s1
InChI Key:
CXRPSWMORVUNOF-WPRPVWTQSA-N
SMILES:
O=C1[C@H]2CNC[C@H]2CN1c1cccnc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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