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
   -3.1870    0.9411   -0.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1891    0.2887   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -0.3518    1.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -0.9255    1.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -0.8671    1.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550   -0.2335    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8773    0.3332   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -0.1359   -0.1154 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5184    0.6398    0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157    1.3672    1.4993 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    0.4402   -0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737   -0.3820   -1.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0539   -0.7797   -1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4627   -1.5574   -2.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6801    1.8256   -1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4419    0.1807   -1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0810    1.2983   -0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5709   -0.3851    1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8338   -1.4226    2.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672   -1.3356    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5987    0.8419   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6699    0.9210   -0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1808   -0.7014   -2.1035 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