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
   -3.9207    0.6986    0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336    0.1111    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5178   -1.3270   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1046   -1.3909   -0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756   -2.3622   -1.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023   -0.2340   -0.1713 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112    0.6922    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    1.8712    0.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103   -0.0084   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9105   -1.0152    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2677   -0.7005    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7357    0.5732   -0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315    1.5592   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023    1.2737   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9180    1.7687    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8307    0.1419   -0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2046   -1.7057   -1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7356   -1.8785    0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889   -2.0245    0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.4507    0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.8010   -0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563    2.5650   -0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7549    2.0416   -0.6202 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