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
    1.9606   -0.3652   -1.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0445   -0.4431   -0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452   -0.7495    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9399   -0.7425    1.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082   -0.4276    1.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766   -0.3379    2.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9597   -0.2434    0.2394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901    0.0746   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157    1.4101   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060    2.4873   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215    1.7022   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818    0.7293   -0.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6512   -0.6084   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450   -0.9027   -0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9693   -2.3262   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2178   -0.9464   -0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   -0.9288    2.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860    2.2193    0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802    3.4378    0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9606    2.6063   -0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2694    2.7626   -0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0039    0.9897   -1.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3764   -1.3998   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -2.7856    0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -2.7989   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637   -2.4131    0.2413 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