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
   -4.5941    0.4559    0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186    0.2752    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890    0.8276    1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229    0.6423    1.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261   -0.0905   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1644   -0.6359   -0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466   -0.4505   -0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950   -0.2674   -0.0502 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -1.4893   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -2.6098    0.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2355   -1.2532   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    0.1913   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824    0.8376    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    0.7561   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8425    1.9955   -0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9696    0.8183   -0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8729    1.2553    0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0714   -0.5046    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7709    1.3971    1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2725    1.0731    1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355   -1.2217   -1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -0.8941   -1.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -1.8611    0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -1.4328   -1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962    0.2877   -0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5686    1.8979    0.1877 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