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89143-21-5 | [1,3'-Bipyrrolidine]-2',5'-dione, 1'-(2-phenylethyl)-
CAS No: 89143-21-5 Catalog No: AG003YXJ MDL No:
Product Description
Catalog Number:
AG003YXJ
Chemical Name:
[1,3'-Bipyrrolidine]-2',5'-dione, 1'-(2-phenylethyl)-
CAS Number:
89143-21-5
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
1-(2-phenylethyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C16H20N2O2/c19-15-12-14(17-9-4-5-10-17)16(20)18(15)11-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2
InChI Key:
KSBKVAMXGZNMRI-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=O)N1CCc1ccccc1)N1CCCC1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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