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
   -4.0440   -0.0900    0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5683   -0.1781    0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8518   -1.2844    0.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906   -1.3788    0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055   -0.3756    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5166    0.7130   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    0.8272   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908    1.8058   -0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945   -0.3884   -0.0902 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010   -0.0079    0.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4692    0.4108    2.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9181   -0.1717    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7430   -0.6233   -1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939   -0.7757   -1.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8145   -1.1858   -2.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2777   -0.1837    1.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5428   -0.9261    0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3763    0.8882    0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372   -2.0516    1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -2.2414    1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    1.6824   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0882    2.7370   -0.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664    1.9980   -1.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    1.6071   -1.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013    0.0292    0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -0.8363   -1.7378 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