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187387-80-0 | 4-[2-(2,6-dioxocyclohexylidene)-2-(pyrrolidin-1-yl)ethyl]piperidine-2,6-dione
CAS No: 187387-80-0 Catalog No: AG01FI2B MDL No:
Product Description
Catalog Number:
AG01FI2B
Chemical Name:
4-[2-(2,6-dioxocyclohexylidene)-2-(pyrrolidin-1-yl)ethyl]piperidine-2,6-dione
CAS Number:
187387-80-0
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
IUPAC Name:
4-[2-(2,6-dioxocyclohexylidene)-2-pyrrolidin-1-ylethyl]piperidine-2,6-dione
InChI:
InChI=1S/C17H22N2O4/c20-13-4-3-5-14(21)17(13)12(19-6-1-2-7-19)8-11-9-15(22)18-16(23)10-11/h11H,1-10H2,(H,18,22,23)
InChI Key:
OYXXDYQALYTZDQ-UHFFFAOYSA-N
SMILES:
O=C1CC(CC(=O)N1)CC(=C1C(=O)CCCC1=O)N1CCCC1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.373g/mol
Monoisotopic Mass:
318.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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