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
   -2.9384    1.8753    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198    0.6871    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877   -0.4757   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368   -1.5767   -0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572   -1.5130   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -0.3832   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7284    0.6983    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -0.3002    0.1051 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017   -1.4118    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.6347    0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322   -0.8377    0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6870    0.4758    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715    0.8754    0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    2.0677    0.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    1.8749   -0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1514    1.8817    1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880    2.7891    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7541   -0.5173   -0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698   -2.5030   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181   -2.3772   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253    1.6284    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6339   -1.4607    0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5360    1.1375    0.5172 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