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
    4.0574   -0.4166   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -0.2339   -0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    0.0610   -1.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853    0.2223   -1.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1943    0.0905   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295   -0.2027    0.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980   -0.3647    0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347   -0.3630    2.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6087    0.2475   -0.4153 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3295    1.4029   -0.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8732    2.4907   -1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7418    1.0882   -0.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8712   -0.1301   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5647   -0.7244   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3044   -1.8996    0.4441 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5993    0.3051   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547   -1.4592   -0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3654   -0.1886    0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    0.1714   -2.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    0.4542   -2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -0.6013    1.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2298    0.1514    2.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    0.1352    2.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3697   -1.4249    2.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5420    1.8021   -0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8244   -0.6134    0.0128 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