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
   -3.9632   -1.1111   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163   -0.7827   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -1.7025   -0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2743   -1.4740   -0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2368   -0.2836   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234    0.6524    0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    0.3682    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    1.9031    0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212    0.0105   -0.1913 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    0.3827   -1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109    0.5090   -2.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126    0.5898   -0.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691    0.3649    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191   -0.0032    0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2766   -0.2732    2.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1587   -1.8206    0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5382   -0.1765    0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2902   -1.5736   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -2.6397   -1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -2.1961   -1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6542    1.1001    0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9487    2.5716    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5389    2.4637    0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4950    1.8062    1.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6635    0.8781   -1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    0.4364    1.1055 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