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
    4.0774   -0.4531   -0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757   -0.2812    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -0.4142    1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0926   -0.1514    1.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698   -0.1799    2.7266 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    0.1603    0.3934 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294    0.0788   -0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764    0.2912   -1.7999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8768    0.4884    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2790    1.8068    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    2.1905   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5186    1.2236   -0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398   -0.0918   -0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8419   -0.4695   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888   -1.9064   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -0.9012   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7963   -1.0019    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.5763   -0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2546   -0.6776    2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    2.6036    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8469    3.2575   -0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5240    1.5185   -0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9113   -0.8391   -0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246   -2.0678    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880   -2.2144   -1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3209   -2.5457    0.2396 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