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
   -4.5331   -0.6879    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0678   -0.4093    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4873    0.3782    1.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    0.6044    1.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485    0.0549    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113   -0.7364   -0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2798   -0.9492   -0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633    0.2681   -0.0457 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322    1.2751   -0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094    2.0001   -1.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513    1.3660   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925    0.0689    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5693   -0.5339    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.4739    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -1.4578    1.3592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0124    0.1228   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6877   -1.6545   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9680   -0.6703    1.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1180    0.8011    1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565    1.2113    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168   -1.1780   -1.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665   -1.5559   -1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8091    1.4788   -1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    2.2368    0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045   -1.4968    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.0625    0.2132 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