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
    1.2052    0.3965   -2.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7359    0.0795   -1.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1493   -0.1748   -1.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3094   -0.4790    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076   -0.4463    0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168   -0.6731    1.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084   -0.0926   -0.1775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727    0.0431    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284    1.2704    0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    2.4591    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051    1.4135    0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074    0.2874    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587   -0.9557    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -1.0519    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184   -2.3909   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9711   -0.1301   -1.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736   -0.7147    0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8594    2.3436    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886    2.7644   -0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5973    3.3498    0.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7554    2.3815    0.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1846    0.3656    0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -1.8240    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698   -2.3565   -0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627   -2.8488   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527   -3.0158    0.7015 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