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
    4.5763    0.7334    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0973    0.5081    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072    1.4851   -0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275    1.2596   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3155    0.0325    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118   -0.9463    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761   -0.7175    0.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915   -0.2358   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117   -1.3831    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887   -2.1475    1.4783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0402   -1.5610   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4233   -0.1334   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6453    0.3729   -0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360    0.5335   -0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288    1.6176   -1.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    1.0393    1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    1.6005   -0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1246   -0.1851   -0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    2.4502   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.0614   -0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700   -1.9303    0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662   -1.5153    0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9839   -2.1344   -1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7575   -1.9887    0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5132   -0.2410   -0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8299    1.4254   -0.5655 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