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
   -4.5568    0.2213    0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0765    0.1186    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203    0.0096   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536   -0.0846   -0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2945   -0.0755    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.0339    1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2510    0.1307    1.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971   -0.1741    0.0511 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362   -1.2739    0.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565   -2.2825    1.0974 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547   -1.1340   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3343    0.3202   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4346    1.0527   -0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588    0.8031   -0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393    1.9256   -0.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9684   -0.7734    0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656    0.5084    1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9639    0.9786   -0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0948   -0.0100   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -0.1735   -1.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133    0.0452    2.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082    0.2166    2.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844   -1.5052    0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045   -1.6396   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4196    0.6493   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2971    2.1127   -0.9946 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