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
   -3.2547    1.2632   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068    0.3335   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6075   -0.8163    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6383   -1.6875    1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2991   -1.4055    0.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -0.2567    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665    0.5934   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -0.0012   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882   -0.8349   -0.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959   -1.8980   -1.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7443   -0.2537   -0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7043    0.8619    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318    1.0597    0.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    2.0161    1.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402    0.6699   -0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4387    2.0724    0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344    1.7682   -1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6504   -1.0667    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905   -2.6141    1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -2.0716    1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650    1.4963   -0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5896   -0.7059   -1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5775    1.4775    0.1750 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