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
    1.2711    1.6090    1.9099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955    0.9696    0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    1.0136    0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    0.2509   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287   -0.3239   -0.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661   -1.0915   -1.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945    0.1449   -0.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3867   -0.1179    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186    0.9916   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6324    2.3394   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688    0.7627   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1156   -0.4855    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -1.5378    0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8572   -1.3904    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397   -2.5610    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    1.5598    0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664    0.1007   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    3.0307    0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2261    2.7846   -1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003    2.2853   -0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296    1.6071   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089   -0.6322    0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6258   -2.5233    0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7404   -2.4287    1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -2.9646   -0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469   -3.3931    0.7983 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