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
   -4.5899    0.0264   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -0.0220    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3338   -0.0548   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683   -0.0994   -0.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080   -0.1136    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771   -0.0806    1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4534   -0.0356    1.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -0.1606    0.2561 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9363   -1.1340    0.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015   -2.3170    1.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810   -0.5364    1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    0.3994   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4177    0.8217   -0.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9734    0.7883   -0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528    1.8333   -1.0143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9431    1.0787   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0562   -0.5993    0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8655   -0.3756   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8041   -0.0455   -2.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3441   -0.1258   -1.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5802   -0.0906    2.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0855   -0.0090    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.2867    1.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.1137    1.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4217    0.5063   -0.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    1.5186   -1.6197 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