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
   -3.7356    0.0425   -1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729   -0.1489   -0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368   -0.2994    0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.3563    1.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    1.0253    2.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4729    0.0634    0.1778 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.2552   -0.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8903   -0.5706   -2.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    0.0674    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936    1.2190    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701    1.2600    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    0.0645    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0403   -1.1073   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -1.1133   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7074    0.1000   -0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547    0.1419   -2.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4788    0.2068    1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5487   -1.3592    1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1297    0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6301    2.1873    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    0.0505    0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -2.0231   -0.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075   -2.0376   -0.2048 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