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
   -4.0602   -0.1701    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5790   -0.2059    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8999   -1.3867    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5314   -1.3947    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2099   -0.2894   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802    0.8855   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8665    0.9193   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2177    2.1258   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233   -0.3725   -0.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320   -1.2918   -0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595   -2.1358   -1.7348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7555   -1.0523   -0.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339   -0.0850    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6398    0.3826    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    1.2974    1.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5163   -0.0774   -0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3463    0.6951    1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3972   -1.1056    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -2.3013    0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -2.3313    0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151    1.8389   -0.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891    1.8892   -1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101    2.6779   -1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    2.7772    0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400   -1.6088   -1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9041    0.3195    0.3464 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