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
    0.7393   -0.4454   -2.6835 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576   -0.3090   -1.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9171   -0.3488   -1.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978   -0.1619   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039    0.0127    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598    0.2181    1.7397 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9416   -0.0793   -0.3641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3786    0.0436    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362    1.2794    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079    2.4814    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2449    1.3558    0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0190    0.2306    1.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372   -0.9991    0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1235   -1.0849    0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5087   -2.4063    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6011   -0.5043   -2.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3092   -0.1288    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772    3.4132    0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8445    2.4700    0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879    2.4568   -1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7075    2.3178    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424    0.3108    1.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0158   -1.8969    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887   -2.3512    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8822   -3.0662    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674   -2.8081   -0.8541 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