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
    4.0454    0.5727   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5717    0.4771   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707    1.5908   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4013    1.5137   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355    0.3316   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -0.7845    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321   -0.7048   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0576   -2.0919    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    0.2418    0.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -0.0274   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3064   -0.2264   -2.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9463   -0.0334   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8464    0.2117    0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4297    0.3933    1.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491    0.6410    2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2744    1.5534   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5248    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953   -0.2741   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    2.5415   -0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2460    2.3876   -0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749   -1.5751    0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -2.4330    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -2.8268   -0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454   -2.0592    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8680   -0.2096   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851    0.2653    1.6549 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