Monomers

2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-

Identifiers

IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
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

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.5597    0.2794   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0803    0.1877   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115    1.3340   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    1.2587    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106    0.0280    0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075   -1.0941   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4791   -1.0289   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062   -0.0684    0.2947 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.4105    1.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3498   -0.3093    2.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494   -0.9180    1.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356   -0.0570   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5979    0.4102   -0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306    0.1562   -0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9295    0.4829   -1.8883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8985   -0.3662   -1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8758    1.3204   -0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0637   -0.1224    0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8560    2.2827   -0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081    2.1921    0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889   -2.0494    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0911   -1.9378   -0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898   -1.9772    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780   -0.7972    1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7185    1.0306   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951    0.1733    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
 11 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers