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
    0.8463    0.5242   -2.6543 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630    0.5996   -1.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8594    1.0077   -1.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    0.9647   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512    0.5207    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8708    0.3650    1.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8926    0.2932   -0.3096 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3902   -0.1434    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7089   -1.4825    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -2.4185   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877   -1.8751    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9306   -0.9608    0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619    0.3851    0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3045    0.7917    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314    2.2262    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    1.3024   -2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258    1.2206    0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -3.4612   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -2.4423   -1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471   -2.0804   -0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -2.9400    0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9156   -1.2956    1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3349    1.0724    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587    2.4097    0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9702    2.6689    1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644    2.7479   -0.1485 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