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
    4.1330    0.4260    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.0433   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -1.1969   -0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9642   -1.2916   -0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385   -2.2175   -1.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4436   -0.0588   -0.3327 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5632    0.7550    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090    1.9177    0.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    0.3240   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    1.4275   -0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7439    1.8126   -0.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031    1.0635    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224   -0.0519    0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738   -0.4247    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301   -1.6237    1.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5481   -0.2511    0.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    1.4887    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7072    0.3273   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661   -1.9992   -1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260    2.0206   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0830    2.7064   -1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6526    1.3643    0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7682   -0.6800    1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -2.5388    0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539   -1.5930    1.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6815   -1.6628    2.2444 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