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
   -1.6882    1.4577   -1.7632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649    0.5441   -0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2609   -0.0400   -0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1447   -0.9833    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378   -1.0743    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3019   -1.8708    1.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0237   -0.1050   -0.1239 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3803    0.0584   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2723   -0.9482   -0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389   -2.2635   -0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434   -0.7724   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1231    0.4437    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    1.4728    0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771    1.2622    0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0918    2.3370    0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119    0.2285   -1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9518   -1.5916    0.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298   -2.1498   -1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -2.5550   -1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442   -2.9608    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3615   -1.5415   -0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2019    0.6287    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994    2.4445    0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980    1.9689    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929    2.9911    1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    3.0187   -0.1309 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