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
    0.6754    1.3216   -2.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3947    0.9073   -1.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    0.9765   -1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2843    0.4514   -0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -0.0120    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0642   -0.5854    1.6000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183    0.2670   -0.2917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3974   -0.0604    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942    0.9236    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042    2.3392    0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5775    0.5245    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600   -0.7958    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -1.7542    0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246   -1.4002    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2985   -2.4263   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279    1.4126   -2.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049    0.3691    0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988    2.5700    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062    2.6828   -0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7031    2.9499    0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106    1.2859    1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9711   -1.0864    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -2.8042    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -3.1363   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582   -1.9766   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671   -2.9435    0.7577 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