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
   -4.1048   -0.4033   -0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6081   -0.3565   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313   -1.3955   -0.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454   -1.3541   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200   -0.2655   -0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    0.7713    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9463    0.7283    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    1.9470    0.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399   -0.2363   -0.1048 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095   -0.6779    1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198   -1.1409    2.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261   -0.5063    0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9272    0.0077   -0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911    0.1966   -1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3328    0.6553   -2.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5006   -1.1111    0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669    0.6200   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4678   -0.7764   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3360   -2.2665   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1706   -2.1663   -1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5532    1.5410    0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    1.7088    1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779    2.1565    0.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620    2.8601    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6135   -0.7680    1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8879    0.2318   -0.9248 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