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
    1.0374    0.8009   -2.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212    0.0720   -1.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8063   -0.6024   -1.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9740   -1.2878   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8294   -1.1283    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -1.6329    1.4878 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9248   -0.2632   -0.3762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324    0.1431    0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951   -0.8165    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9782   -2.2363    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -0.4804    0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312    0.8505    1.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803    1.8174    0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6232    1.4623    0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    2.4799    0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5685   -0.6048   -2.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420   -1.8931   -0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938   -2.8575    0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8576   -2.6470   -0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1167   -2.3481   -0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3097   -1.2023    1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8076    1.1299    1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    2.8555    1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393    2.1076    0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    2.9022   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    3.3791    0.7808 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