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
    3.7689    1.1849    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6974    0.4447    0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602   -0.9761   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3340   -1.0416   -0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726   -1.7995   -1.6138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4428   -0.0922   -0.0736 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    0.8100    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    1.8016    1.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9816   -0.0535   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642    0.9581   -0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487    0.9621   -0.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7971   -0.0375   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1139   -1.0462    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222   -1.0602    0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7811    0.8509    0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.1931    1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7447   -1.6986    0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895   -1.1286   -0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    1.7358   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5745    1.7560   -1.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8796   -0.0547   -0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6680   -1.8545    0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821   -1.8539    0.9395 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