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
    0.9613   -1.8339    1.9249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5776   -1.2096    1.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0069   -1.2481    0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609   -0.4413   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0079    0.1716   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    0.9930   -1.6651 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9502   -0.3118    0.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    0.0939   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    1.3946    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.3474    0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0813    1.7812    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0384    0.8919   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609   -0.3888   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -0.7955   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -2.1748   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031   -1.8734    1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412   -0.3050   -0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308    2.6405    1.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    3.2469    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    1.8168    0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3452    2.7953    0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614    1.2093   -0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -1.1311   -1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7232   -2.6400   -1.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330   -2.2176   -1.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505   -2.8117    0.1115 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