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
   -3.4440    0.6577    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.2043    0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2859   -1.5795    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -2.3861    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980   -1.7675    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253   -0.3982    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9508    0.3583    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988    0.2664    0.2542 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8959    1.3788   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    1.8871   -1.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2553    1.7882   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    0.9833    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    0.0132    1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711   -0.8929    1.9635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733    1.6484   -0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2035    0.2288   -0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497    0.8341    1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860   -2.0224    0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2429   -3.4753    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016   -2.3792    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246    1.4190    0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400    2.5933   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6152    1.0486    1.1833 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