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
   -3.6658   -1.4884    0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842   -0.6712    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493    0.7440    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3298    1.2052    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0798    2.4485    0.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499    0.0906    0.0415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2622   -1.0436    0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8726   -2.2420    0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    0.1438   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938    1.2830   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881    1.3638   -0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7693    0.2705   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749   -0.8860   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.9317    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6639   -1.0941    0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -2.5080    1.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1350    0.7687   -1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3877    1.3579    0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    2.1451   -0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4484    2.2824   -1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8598    0.3261   -0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200   -1.7230    0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634   -1.8418    0.4979 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