Monomers

2,5-Pyrrolidinedione, 3-methylene-1-phenyl-

Identifiers

IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.5061
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.9403    0.4535   -0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7562    0.0500   -0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670   -1.0007    0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1436   -0.8824    0.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169   -1.4002    1.9502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.0956    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211    0.4712   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    1.2364   -1.8278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    0.0847   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026    1.2860    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    1.4143    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965    0.3666   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -0.8405   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234   -0.9659   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8470    0.0303   -0.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9853    1.2214   -1.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -1.9848    0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2464   -0.8585    1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    2.1193    0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    2.3614    0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    0.5173   -0.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232   -1.6867   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432   -1.8969   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers