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
    4.0199    0.5073    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.4137    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128    1.5802    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355    1.5075    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    0.2759    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -0.8542    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365   -0.8323    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880   -2.1967    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6462    0.2606    0.1917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754    0.9162    1.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0476    1.5961    2.1281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8740    0.6570    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9352   -0.0997   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5676   -0.3774   -0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -1.0650   -1.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    1.0909    0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    1.0746   -0.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182   -0.4683    0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408    2.5293    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548    2.4024    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333   -1.7482    0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1096   -2.6150   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725   -2.9050    0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -2.2098    0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7382    1.0080    1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8558   -0.4480   -0.6753 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