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
   -3.2397    0.8124    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1852    0.1671    0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -0.6797   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5951   -1.3062   -1.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412   -1.0478   -1.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1264   -0.2024   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323    0.4033    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.0277   -0.0436 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    0.7697   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281    1.3560   -1.9277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229    0.7125   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6595    0.0151    0.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -0.4416    1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7972   -1.1501    1.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697    1.8714    0.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275    0.7543    2.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1898    0.2836    0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5795   -0.8718   -0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8942   -1.9634   -2.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4576   -1.5578   -1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6116    1.0784    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145    1.1810   -0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4617   -0.2114    1.6407 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