200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1422063-52-2
1422063-52-2 | (3aS,6aR)-2-(pyridin-4-ylmethyl)hexahydropyrrolo[3,4-c]pyrrol-1(2H)-one
CAS No: 1422063-52-2 Catalog No: AG01DK4X MDL No:
Product Description
Catalog Number:
AG01DK4X
Chemical Name:
(3aS,6aR)-2-(pyridin-4-ylmethyl)hexahydropyrrolo[3,4-c]pyrrol-1(2H)-one
CAS Number:
1422063-52-2
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
(3aR,6aS)-5-(pyridin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
InChI:
InChI=1S/C12H15N3O/c16-12-11-6-14-5-10(11)8-15(12)7-9-1-3-13-4-2-9/h1-4,10-11,14H,5-8H2/t10-,11-/m0/s1
InChI Key:
BCMFLVDHLVKPSZ-QWRGUYRKSA-N
SMILES:
O=C1N(Cc2ccncc2)C[C@H]2[C@@H]1CNC2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.