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
    0.9670    0.5841   -2.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539    0.2102   -1.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -0.0244   -1.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -0.4151   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -0.4534    0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802   -0.7889    1.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9632   -0.0599   -0.2888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3945    0.0222    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810   -1.1017    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507   -2.3941   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213   -1.0525    0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610    0.1676    0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707    1.2961    0.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269    1.2407    0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605    2.4439    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6976    0.0995   -2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973   -0.6672    0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808   -3.2127    0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -2.3656   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -2.4948   -1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1166   -1.9602    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1039    0.2692    1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7155    2.2515    1.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453    2.8325   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    2.2866    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783    3.2864    0.9430 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