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
    3.2895    1.0738    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168    0.0310   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4757   -1.2770   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4105   -2.1471   -0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109   -1.7313   -0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748   -0.4235   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9199    0.4431    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894    0.0877    0.1079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2848    0.7854   -0.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510    1.0562   -2.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5777    1.1471   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5778    0.7028    1.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2879    0.0275    1.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973   -0.4980    2.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412    1.0933    1.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    2.0592   -0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034    0.8144   -0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041   -1.5724   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6688   -3.1880   -0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -2.4617   -0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782    1.4703    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622    1.6803   -0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4039    0.8270    1.7207 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