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
    0.8768   -0.8698    2.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5017   -0.7280    1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -0.9896    1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215   -0.7294   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203   -0.2703   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9304    0.0747   -1.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387   -0.2748    0.2006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947    0.1080   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709   -0.8525   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9794   -2.2663    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6970   -0.4791   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0021    0.8661   -0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9853    1.7955   -0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    1.4345   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997    2.4391   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538   -1.3484    1.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756   -0.8130   -0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0116   -2.5388   -0.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078   -2.4364    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -2.9612   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -1.2561   -0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0368    1.1111   -0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627    2.8500   -0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3774    1.9780    0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886    3.0532    0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    3.1035   -1.0695 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