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
    4.1000    0.3736   -0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802    0.1737   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5804    0.2451    1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1776    0.0001    1.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6126   -0.0163    2.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -0.2385    0.2888 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4838   -0.1250   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969   -0.2625   -1.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072   -0.5173    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4526   -1.7647    0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8086   -2.0002    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6743   -0.9998   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1493    0.2246   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737    0.4632   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    1.8073   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    1.1438   -0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    0.6678   -1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440   -0.5724   -0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552    0.4531    1.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487   -2.5265    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2381   -2.9615    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7188   -1.2082   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8363    0.9999   -0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    2.4784   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101    2.3486    0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024    1.8137   -1.4519 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