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
    3.8487    0.8347    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195    0.1980    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -1.2872    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347   -1.3837   -0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6628   -2.2819   -1.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381   -0.2012    0.0987 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    0.7852    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1439    1.9621    0.8970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    0.0031    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6428   -0.2734    1.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0153   -0.0767    1.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870    0.3967    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0294    0.6824   -0.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673    0.4737   -0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    0.3102   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    1.9140    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515   -1.5856    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515   -1.8197   -0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1337   -0.6516    2.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521   -0.2968    2.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702    0.5592    0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5711    1.0542   -1.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1215    0.6844   -1.8271 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