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
   -4.0704   -0.5442    0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -0.4536    0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -1.3837    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4137   -1.3138    0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2319   -0.2893    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5424    0.6484   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.5712   -0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1157    1.7501   -1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -0.1706    0.2176 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    0.9218    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0201    1.9938    1.2128 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271    0.5761    0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174   -0.6174   -0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674   -1.1509   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2972   -2.2707   -0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4487   -1.3503   -0.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4146   -0.7341    1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4700    0.4074   -0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055   -2.1846    1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2044   -2.0549    1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365    1.3182   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4151    1.9694   -2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    2.7062   -0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1535    1.5200   -1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6555    1.2457    0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508   -1.1102   -0.4359 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