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
    4.6278    0.0485    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378    0.0165    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    0.7207   -0.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.6757   -1.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3124   -0.0660   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -0.7678    0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -0.7278    0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099   -0.1235   -0.1816 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623   -0.9325   -0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -1.5793   -1.9939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3446   -0.9074   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3802    0.3653    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4691    1.0792    0.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9957    0.6676    0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6331    1.5287    1.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9614   -0.9989    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0474    0.4569   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9622    0.6275    1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0385    1.3080   -1.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5360    1.2399   -1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4159   -1.3519    1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191   -1.2917    1.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133   -0.9440   -1.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4588   -1.7947    0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4451    0.7527    0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793    1.9982    1.1991 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