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
   -1.4240   -0.1715    2.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -0.5730    1.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9698   -1.2832    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300   -1.5400   -0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722   -1.0125   -0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -1.0807   -2.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9279   -0.4093    0.1545 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3383    0.2009   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095    1.5541   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7185    2.3978   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476    2.1237   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777    1.3053   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7434   -0.0481   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4627   -0.5876    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373   -2.0273    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7970   -1.5626    1.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6867   -2.0519   -0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695    3.4629   -0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186    2.0207   -1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112    2.3187    0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8322    3.1754   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8557    1.7584   -0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169   -0.6839   -0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2366   -2.3376    0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -2.6478   -0.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4659   -2.3010    0.9268 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