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
    1.8951    0.5543    1.9085 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011   -0.1625    0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1744   -0.8787    0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890   -1.5203   -0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955   -1.2722   -1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -1.7330   -2.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460   -0.4227   -0.0801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.0978    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -0.6885    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847   -2.1560    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367   -0.1139    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9291    1.2488    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073    2.0338    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5399    1.4637   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412    2.3654   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548   -0.9060    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6097   -2.1279   -1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -2.4768    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932   -2.5396   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675   -2.5848    0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5886   -0.7671    0.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9344    1.6876    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9275    3.1133    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720    3.1109   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066    2.8930    0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5206    1.7815   -0.5564 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