Monomers

1-(3,5-Dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3,5-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InchI Key
PECLZIRCLUPWGS-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1cc(C)cc(c1)C
Canonical SMILES
CC1=CC(=CC(=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=CC(=C1)N2C(=O)C=CC2=O)C
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
    2.2803   -1.2373   -2.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256   -0.8786   -0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9909   -0.9717   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005   -0.5072    0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6266   -0.0877    1.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185    0.4094    2.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7818   -0.3201    0.1278 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866   -0.0577    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012   -1.0980    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8539   -0.8538    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393   -1.9473    0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3399    0.4218   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673    1.4732   -0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1176    1.2041   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9845    2.8501   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8259   -1.3681   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600   -0.4445    1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -2.1026    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8303   -2.5730   -0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059   -2.5980    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8606   -1.5329    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4154    0.6211   -0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946    1.9976   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002    3.3693    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    3.3979   -1.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723    2.8341   -1.3022 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
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
  9 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 14 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