Monomers

3-Methyl-1-(2-methylphenyl)pyrrole-2,5-dione

Identifiers

IUPAC name
3-methyl-1-(2-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12(13)15/h3-7H,1-2H3
InchI Key
HGGWGNOOIKZWES-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)c1ccccc1C
Canonical SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
Isomeric SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=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
1.8145
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
    4.1297    0.1761    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873    0.0907    0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893    0.2959   -1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794    0.1423   -1.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908    0.2580   -2.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898   -0.1786   -0.2849 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934   -0.2094    0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949   -0.4581    1.9424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9076   -0.4053   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318   -1.6335   -0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704   -1.9396   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6482   -0.9789   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1709    0.2571    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8093    0.5349    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    1.8774    0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644   -0.5034    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0526   -0.1360    1.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5154    1.2277    0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3286    0.5420   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394   -2.3666   -0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1647   -2.9056   -0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7126   -1.2396   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980    0.9762    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6573    2.6593   -0.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371    1.8504    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8321    2.0666    1.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 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