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Home > Pyridines > 1969288-70-7
1969288-70-7 | rac-(3aR,7aS)-5-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridin-1-one, cis
CAS No: 1969288-70-7 Catalog No: AG01C5O9 MDL No:MFCD30011416
Product Description
Catalog Number:
AG01C5O9
Chemical Name:
rac-(3aR,7aS)-5-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridin-1-one, cis
CAS Number:
1969288-70-7
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD30011416
IUPAC Name:
(3aR,7aS)-5-benzyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridin-1-one
InChI:
InChI=1S/C14H18N2O/c17-14-13-6-7-16(10-12(13)8-15-14)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)/t12-,13+/m1/s1
InChI Key:
RZDNWXGLKFTFQQ-OLZOCXBDSA-N
SMILES:
O=C1NC[C@H]2[C@@H]1CCN(C2)Cc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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