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Home > Pyridines > 1392331-18-8
1392331-18-8 | 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyridin-3-yl)methanone
CAS No: 1392331-18-8 Catalog No: AG01DK4T MDL No:
Product Description
Catalog Number:
AG01DK4T
Chemical Name:
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyridin-3-yl)methanone
CAS Number:
1392331-18-8
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyridin-3-yl)methanone
InChI:
InChI=1S/C12H15N3O/c16-12(9-2-1-3-13-4-9)15-7-10-5-14-6-11(10)8-15/h1-4,10-11,14H,5-8H2
InChI Key:
OBNXTCCIBTVPPH-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)N1CC2C(C1)CNC2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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