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
   -3.1851   -1.2918    0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019   -0.1914    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622    1.1021   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609    2.0208   -0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2119    1.7070   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217    0.3991    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8646   -0.5369    0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698   -0.0105    0.1243 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    0.7064    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4076    1.8226    1.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -0.0832    0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -1.1922   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0848   -1.1808   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4940   -2.0873   -1.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753   -1.9343   -0.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7748   -1.8602    1.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1839   -0.9297    0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6228    1.3348   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683    3.0430   -0.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5363    2.4868   -0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5765   -1.5666    0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6955    0.2077    1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326   -1.9654   -0.3336 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