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Home Other Building Blocks (8aR)-2-benzyl-octahydropyrrolo[1,2-a]piperazine-1,4,7-trione

(8aR)-2-benzyl-octahydropyrrolo[1,2-a]piperazine-1,4,7-trione

CAS No.:
2137090-35-6
Catalog Number:
AG01EJY1
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
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Product Description
Catalog Number:
AG01EJY1
Chemical Name:
(8aR)-2-benzyl-octahydropyrrolo[1,2-a]piperazine-1,4,7-trione
CAS Number:
2137090-35-6
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD31457048
IUPAC Name:
(8aR)-2-benzyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione
InChI:
InChI=1S/C14H14N2O3/c17-11-6-12-14(19)15(9-13(18)16(12)8-11)7-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m1/s1
InChI Key:
VKSDUEUIONRUIC-GFCCVEGCSA-N
SMILES:
O=C1N(CC(=O)N2[C@@H]1CC(=O)C2)Cc1ccccc1
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties