Monomers

1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-

Identifiers

IUPAC name
1-(2,6-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
InchI Key
VMDQUQBEIFMAIC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1c(C)cccc1C
Canonical SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
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
    1.6007    0.6637   -2.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9439    0.3292   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2854    0.1771   -0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2083   -0.1906    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228   -0.3046    1.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598   -0.6387    2.2312 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0188    0.0243   -0.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912   -0.0053   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1044   -1.1790   -0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -2.3979   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786   -1.2097   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986   -0.0592    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008    1.1268    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0953    1.1443    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3645    2.4149    0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833    0.3494   -1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0247   -0.3855    1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095   -3.2532   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677   -2.1899   -1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028   -2.6386    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0134   -2.1300   -0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2856   -0.0366    0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0632    2.0490    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    2.6446    1.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469    2.4788   -0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0462    3.2167   -0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers