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
    3.3066    1.1082   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1894    0.1744    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535   -1.0970    0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433   -1.9964    0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1354   -1.5920    0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -0.3244    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8784    0.5491   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    0.0571   -0.1188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163    0.7020    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9156    1.0058    2.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303    0.9353    0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6489    0.4779   -0.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3416   -0.0829   -1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -0.6164   -2.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656    0.7891    0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6533    1.0446   -1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9713    2.1404   -0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -1.4259    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -3.0101    1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6315   -2.3326    0.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6817    1.5627   -0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4434    1.4133    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4978    0.5178   -1.6069 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