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
   -3.5478    0.0187    2.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3863   -0.0427    1.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2698   -0.7930    2.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243   -0.8062    1.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.0784    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993    0.6751   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453    0.6942    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8142   -0.0753   -0.8081 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273   -0.4785   -2.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -1.2303   -2.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    0.1609   -2.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929    0.1711   -1.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1968    0.0619   -1.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1570    0.3311   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6161    0.7553    0.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8089    1.0798    3.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2879   -0.5128    3.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4015   -0.5289    2.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347   -1.3668    3.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -1.4023    1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    1.2520   -0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3389    1.2929    0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944   -0.4148   -3.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    1.2020   -3.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6796   -0.0535   -2.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7996    0.0885   -1.0304 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