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
    1.7376    1.1296    1.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9387    0.5277    0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698    0.3469    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -0.3293   -1.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   -0.6105   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -1.2496   -2.3307 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9766   -0.0832   -0.2280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -0.0590    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    1.1934   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2184    2.3898   -0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    1.2957    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994    0.1552    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4397   -1.0548    0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0837   -1.2083    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -2.5130    0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2325    0.6841    0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530   -0.5983   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    2.1382   -0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    2.9866   -1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    3.0529    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8892    2.2769    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    0.2414    0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0076   -1.9484    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2247   -3.2719    0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0267   -2.8593   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595   -2.6327    1.2939 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