Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
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
1.7328
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
    3.9626    0.7949   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102    0.6341   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    1.7439   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363    1.6130   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116    0.3340    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5838   -0.7897    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9453   -0.6128    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -2.1483    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122    0.1639    0.2461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4837    0.7300    1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567    1.4721    2.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8387    0.2805    0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -0.4978   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -0.6052   -0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1493   -1.2839   -1.5997 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4946   -0.1219    0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3640    1.6327    0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    0.9762   -1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975    2.7508   -0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3488    2.4603    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5531   -1.5186    0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -2.1397    0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252   -2.7050   -0.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -2.7010    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7556    0.5141    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6868   -0.9764   -0.5326 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
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers