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
    1.9095    0.4896    2.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789    0.0944    1.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8967   -0.1609    1.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0769   -0.5673   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660   -0.5965   -0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639   -0.9383   -1.8874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -0.1881    0.2138 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477   -0.0657    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2152    1.1889    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5768    1.3531   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    2.7149    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115    0.2131   -0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7589   -1.0475   -0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870   -1.2029   -0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6201   -2.2339   -0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6897   -0.0309    1.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0438   -0.8301   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922    2.0784    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2538    2.6689    0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    3.3547    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886    3.1959   -0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3749    0.3414   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229   -2.1913   -0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599   -2.5436   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2696   -3.0629   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6814   -2.0333   -0.4055 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