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
    4.5753    0.3836   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0964    0.2219   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237   -0.0049   -1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346   -0.1535   -1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3026   -0.0743    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0638    0.1528    1.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    0.2959    1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007   -0.2282    0.0881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845   -1.4587    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3422   -2.6137    0.5108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2395   -1.2412   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3635    0.2209    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4633    0.9200    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380    0.8263    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8163    2.0787   -0.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    1.4542   -0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614   -0.0796    0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0006   -0.0466   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200   -0.0665   -2.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405   -0.3305   -2.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170    0.2044    2.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796    0.4743    2.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8855   -1.7485    0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4082   -1.5699   -1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3993    0.3917    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4795    1.9913    0.3972 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