CID 45143229
PubChem CID
45143229
Structure
Molecular Formula
Status
Non-live
Molecular Weight
311.17 g/mol
Dates
- Create:2010-04-27
Chemical Structure Depiction
1-(4-bromophenyl)-3-(propan-2-ylamino)pyrrolidine-2,5-dione
InChI=1S/C13H15BrN2O2/c1-8(2)15-11-7-12(17)16(13(11)18)10-5-3-9(14)4-6-10/h3-6,8,11,15H,7H2,1-2H3
DAEPLLYXYYYABE-UHFFFAOYSA-N
CC(C)NC1CC(=O)N(C1=O)C2=CC=C(C=C2)Br
C13H15BrN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
311.17 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
310.03169 g/mol
Property Name
Monoisotopic Mass
Property Value
310.03169 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
338
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS