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
    1.2557    0.0814   -2.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7659   -0.1198   -1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1361   -0.3697   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2668   -0.5295    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9514   -0.3924    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015   -0.4693    2.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -0.1344   -0.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3810    0.0643    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9361    1.3073   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.4274   -0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3215    1.4783    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1316    0.4123    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561   -0.8213    0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1884   -0.9946    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5881   -2.3455    0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9761   -0.4313   -1.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2037   -0.7331    0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940    2.5556   -1.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073    3.3997   -0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914    2.2821   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7389    2.4648   -0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2131    0.5777    0.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2045   -1.6696    0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962   -2.3088    0.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8124   -2.7404    1.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366   -2.9915   -0.2309 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