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
    1.1691    0.0532   -2.5204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6920   -0.1730   -1.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865   -0.4804   -1.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564   -0.6578    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9612   -0.4733    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687   -0.5699    2.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968   -0.1694   -0.1753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762    0.0808    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2606   -0.9667    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -2.3431   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952   -0.7224    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1178    0.5397    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244    1.5921    0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8614    1.3640    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1235    2.4711    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9185   -0.5696   -1.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -0.8981    0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852   -2.8625   -0.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7360   -2.9172    0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -2.3581   -0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3157   -1.5442    0.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1719    0.7306    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5709    2.6038    0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    2.4386    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    2.4143   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537    3.4174    0.2452 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