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
    4.0132    0.3089    1.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    0.1022    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -0.5188   -0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2322   -0.5154   -1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286   -1.0393   -2.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730    0.1648   -0.1936 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4168    0.5526    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471    1.1853    1.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239    0.4104   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    1.7122   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855    1.8808   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6709    0.8223   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494   -0.4479   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7916   -0.6578   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2480   -2.0330   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7838   -0.4313    0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8112    0.3456    2.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344    1.3129    0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4672   -0.9694   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7112    2.5154   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055    2.8775   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7403    0.9914   -0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8336   -1.2767   -0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092   -2.6890    0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -2.1420    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3618   -2.4616   -1.3818 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