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
    3.7685   -0.2281    1.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6771   -0.1633    0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    0.2683   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    0.8686   -0.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340    1.8331   -1.6179 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4209    0.1492    0.0394 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3133   -0.4969    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0212   -1.2384    1.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883    0.0713    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5579   -1.1100    0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9397   -1.2077    0.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7282   -0.1483    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501    1.0029   -0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7726    1.1147   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7254   -0.5623    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7493    0.0397    0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3671    0.9896   -1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6253   -0.6582   -1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9514   -1.9426    0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3541   -2.1290    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7928   -0.2858    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7433    1.8314   -0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    2.0017   -0.6943 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