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
    3.8306   -0.2792   -1.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314   -0.0780   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5743    0.8585    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1438    1.2492    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5748    2.3366    0.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    0.1278    0.0823 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120   -0.6870   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1912   -1.7676   -1.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681   -0.0485    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672    0.9732   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2301    0.8282    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7180   -0.4274    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595   -1.4811    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4943   -1.2902    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7356    0.2774   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258   -0.9607   -1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658    1.7058    0.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.2922    1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4814    1.9485   -0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514    1.6155   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7882   -0.5824    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2633   -2.4620    0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637   -2.1488    0.6762 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