Monomers

1-(3-Methylphenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
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

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.2961    1.1645   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    0.2918    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5393   -0.7580    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5368   -1.5663    1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -1.3160    1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -0.2761    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740    0.5211   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5115   -0.0471   -0.1287 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960    0.5475   -1.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574    0.9483   -2.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487    0.5834   -1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734    0.0724   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6826   -0.3359    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680   -0.8713    1.7690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4525    2.0673    0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9630    1.5028   -1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1998    0.5237   -0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5695   -0.9780    1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -2.4105    2.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5948   -1.9476    1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.3401   -0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1168    0.9708   -2.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185   -0.0272    0.2216 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
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 13  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers