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116740-70-6 | 2,5-Pyrrolidinedione, 1-[1-methyl-4-(1-piperidinyl)-2-butyn-1-yl]-
CAS No: 116740-70-6 Catalog No: AG000D66 MDL No:
Product Description
Catalog Number:
AG000D66
Chemical Name:
2,5-Pyrrolidinedione, 1-[1-methyl-4-(1-piperidinyl)-2-butyn-1-yl]-
CAS Number:
116740-70-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
1-(5-piperidin-1-ylpent-3-yn-2-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C14H20N2O2/c1-12(16-13(17)7-8-14(16)18)6-5-11-15-9-3-2-4-10-15/h12H,2-4,7-11H2,1H3
InChI Key:
CSCVGFKGJLRQJE-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1C(C#CCN1CCCCC1)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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