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
    1.7472    0.5627    2.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211    0.3737    0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3247    0.4013    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    0.1494   -1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -0.0605   -1.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100   -0.3251   -2.5154 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265    0.0775   -0.1941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -0.0352    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269    1.0588    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564    2.3702    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054    0.9511    0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.2727    0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884   -1.3796    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.2411   -0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245   -2.4374   -0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718    0.5989    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814    0.1061   -1.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122    2.5004   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    3.1734    0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0695    2.5771    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0756    1.8186    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1643   -0.3591    0.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8929   -2.3314    0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   -2.4161   -0.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2246   -2.5153   -1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7402   -3.3459   -0.1030 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