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
    1.2511    0.8957   -2.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7603    0.3576   -1.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627    0.0543   -1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583   -0.4969    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524   -0.5978    0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -1.0742    1.8687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -0.0472   -0.2188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    0.0296    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646   -1.0631   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816   -2.2996   -0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5210   -0.9802    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184    0.1720    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2989    1.2569    0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360    1.1907    0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622    2.3899    0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    0.2374   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1540   -0.8417    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139   -2.6273   -1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4275   -2.1650   -1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -3.1055    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -1.8416   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1932    0.2175    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    2.1664    1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023    2.4633   -0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7388    3.2861    0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3491    2.4227    1.7657 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