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
   -4.0720    0.0782    0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -0.0807    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -1.2594    0.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756   -1.3864    0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986   -0.3501    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738    0.8341   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331    0.9566   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3283    1.9670   -0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5986   -0.4676   -0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602   -0.3417    0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3818   -0.1164    2.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8929   -0.5232    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7354   -0.7427   -0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157   -0.7207   -1.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183   -0.8978   -2.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3353    0.8070    1.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5459   -0.9029    0.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5689    0.4368   -0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338   -2.0955    1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0610   -2.3119    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3628    1.8896   -0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306    1.5634   -1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204    2.7691   -1.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9924    2.2941    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231   -0.4817    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498   -0.9172   -1.7082 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