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
   -4.6006    0.1014   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153    0.0998   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294    0.7551    0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514    0.7251    0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997    0.0560   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9974   -0.5941   -1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3834   -0.5776   -1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1116    0.0176   -0.0393 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9822    0.4892   -1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    0.7165   -2.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3336    0.6948   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664   -0.3316    0.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122   -0.9629    1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493   -0.4917    0.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -1.0053    2.0799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9529    0.8394   -1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9203   -0.8978   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0595    0.2763    0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0148    1.2834    1.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080    1.2502    1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4664   -1.1353   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9242   -1.0919   -1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4244    1.7034   -0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    0.5089   -1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3891   -0.7384    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335   -1.6906    1.8806 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