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
    4.0991   -0.5336   -0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7949   -0.2626    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166   -0.2133    1.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005    0.0850    1.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291    0.2197    2.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4946    0.2227    0.3274 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5506    0.0062   -0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761    0.0318   -1.8632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551    0.5087    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    1.7968   -0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5322    2.1054   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5231    1.1323   -0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635   -0.1554   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.4585    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175   -1.8634    0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9669   -1.3822   -1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8735   -0.6900    0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4202    0.3417   -1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2197   -0.3674    2.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013    2.5857   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254    3.1156   -0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5362    1.4268   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9489   -0.9148   -0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470   -2.0452    0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0102   -2.1267    1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0015   -2.5654   -0.3983 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