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
   -3.3236   -1.1188   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142   -0.1553    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5342    1.1337    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011    2.0290    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790    1.6111    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    0.3212    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8905   -0.5591   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163   -0.0660   -0.1121 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3807    0.0581   -1.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363    0.5702   -2.3244 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6780   -0.5016   -0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6617   -0.9489    0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200   -0.6992    0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9003   -0.9832    2.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1797   -0.5531   -0.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238   -1.5870    0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236   -1.8544   -0.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5550    1.4613    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7306    3.0557    0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    2.2979    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438   -1.5697   -0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5163   -0.5261   -1.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024   -1.4159    0.9261 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