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
    4.0779   -0.8931    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634   -0.1774    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356    1.0818    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    1.4158    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378    2.5479    0.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028    0.2378   -0.1809 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661   -0.7811   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -1.9637   -0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    0.2469   -0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278    0.8399   -1.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8038    0.8641   -1.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6980    0.3169   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1916   -0.2730    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8087   -0.2968    0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3024   -0.9326    1.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5461   -0.7532    1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7324   -0.3622   -0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   -1.9500   -0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    1.7707    0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    1.2735   -2.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656    1.3289   -2.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7830    0.3361   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9031   -0.7011    0.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212   -0.1887    2.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7972   -1.9029    1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1363   -1.0846    2.4534 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