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
   -3.5958    0.4634    1.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    0.3421    0.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8015    0.1461   -0.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124    0.0798   -1.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0674   -0.0800   -2.4198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    0.2188   -0.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    0.3784    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    0.5339    2.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9697    0.2071   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462    0.6869   -1.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180    0.6636   -1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450    0.1481   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081   -0.3391    0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391   -0.3047    0.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6398    0.4281    1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3654    0.6058    2.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    0.9603   -1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3127   -0.8211   -0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    1.0957   -2.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    1.0309   -2.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8307    0.1095   -0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -0.7498    1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017   -0.6881    1.6724 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