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
    1.6245    0.9165    2.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9579    0.4231    0.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3174    0.2160    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.3196   -0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8832   -0.4951   -1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4943   -0.9741   -2.1835 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495   -0.0284   -0.0538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3837    0.0089    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883   -1.1774    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4142   -2.5006    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4656   -1.1376    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1516    0.0776    0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4624    1.2438    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    1.2104   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389    2.5082   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256    0.4473    1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1646   -0.5756   -1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3044   -2.9302   -0.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277   -3.2491    0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582   -2.4422    0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0537   -2.0499    0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369    0.0501    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9896    2.2095   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390    2.4583   -0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    2.8096    0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0506    3.3006   -0.4916 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