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
   -4.5898   -0.0303    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1014   -0.0528    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372   -0.2915   -1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1717   -0.3149   -1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -0.0950   -0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8481    0.1463    1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    0.1596    1.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0903   -0.1200   -0.3563 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155   -1.2366   -0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5986   -2.3260   -1.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -0.9277   -0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433    0.5576   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3924    1.2623   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534    0.9957   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    2.2066    0.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1006    0.5279   -0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9429   -1.0999    0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7729    0.4020    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140   -0.4638   -1.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7064   -0.5012   -2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149    0.3262    1.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    0.3497    2.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872   -1.1494    0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0755   -1.4546   -0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2996    2.3223   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    0.8076   -0.9157 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