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
    4.0598    0.0206   -0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    0.0387   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    0.3382   -1.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530    0.3600   -1.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2311    0.0849   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5399   -0.2119    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141   -0.2402    0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173   -0.5156    2.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508    0.1005   -0.2497 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5807   -0.8078   -0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850   -1.8108   -1.5078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479   -0.3955   -0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8374    0.6972    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326    1.0727    0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9977    2.0572    1.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3706   -1.0407   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3659    0.5890   -1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5624    0.4861    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    0.5636   -2.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1468    0.5919   -2.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5442   -0.4662    1.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865   -0.6954    2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766    0.2797    2.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -1.4372    2.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8731   -0.8865   -0.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6936    1.2275    0.6291 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