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
    1.9965    0.5686    1.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1026    0.1601    0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3092   -0.1009   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602   -0.5189   -1.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -0.5603   -1.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8364   -0.9096   -2.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781   -0.1273   -0.2905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3969    0.0197    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064   -1.0777    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   -2.4159    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5434   -0.9261    0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420    0.3488    0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180    1.4348    0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8794    1.2975    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226    2.4721    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3126    0.0249    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772   -0.7894   -2.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2094   -3.1849    0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4641   -2.4752    0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252   -2.6453   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -1.8292    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0756    0.4496    1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6247    2.4168    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4612    3.0328   -0.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    3.1636    0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9746    2.1714   -0.2679 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