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
    4.0143    0.3105    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    0.0700   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -0.0460   -1.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   -0.2722   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756   -0.4340   -2.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426   -0.2925   -0.4124 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3938   -0.0776    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815   -0.0162    1.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9463   -0.4817   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6009   -1.6472   -0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664   -1.8165   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6980   -0.7805    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0685    0.3923    0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983    0.5309    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0435    1.7945    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175    1.4034    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367   -0.1883    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9121   -0.0977    1.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    0.0165   -2.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0073   -2.4656   -1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4480   -2.7324   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7493   -0.9099    0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6236    1.2313    0.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    1.7969    1.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729    2.6530    0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533    2.0588    0.1013 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