Home Other Building Blocks 1-benzyl-octahydropyrrolo[2,3-b]pyrrole

1-benzyl-octahydropyrrolo[2,3-b]pyrrole

CAS No.:
1823052-37-4
Catalog Number:
AG01DZ1U
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
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Product Description
Catalog Number:
AG01DZ1U
Chemical Name:
1-benzyl-octahydropyrrolo[2,3-b]pyrrole
CAS Number:
1823052-37-4
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
MDL Number:
MFCD24665503
IUPAC Name:
6-benzyl-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-b]pyrrole
InChI:
InChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-9-7-12-6-8-14-13(12)15/h1-5,12-14H,6-10H2
InChI Key:
BLJHUEHDYDJFMY-UHFFFAOYSA-N
SMILES:
C1CC2C(N1)N(CC2)Cc1ccccc1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties