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
    2.4357    1.3374    1.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    0.2863    0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0320   -0.3156    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8830   -1.3989   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4805   -1.5506   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -2.4627   -1.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436   -0.4770   -0.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3607   -0.1600   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386   -1.1080   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9926   -0.8000   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0101   -1.8804   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133    0.5482   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    1.5303   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0346    1.1757   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357    2.9644   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9170    0.0911    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7196   -2.0399   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447   -2.1618   -0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367   -2.7149    0.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9611   -1.4043    0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1464   -2.2519   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817    0.7677   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7139    1.9292   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928    3.4112   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720    3.1534    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0927    3.5313    0.4060 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