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
   -3.2525   -1.1897   -0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201   -0.2350   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6070    0.9375    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384    1.8004    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2884    1.4965    0.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1283    0.3282    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643   -0.5288   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5032   -0.0015    0.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422   -1.2688    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682   -2.3792    0.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5744   -1.1141   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027    0.1773   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607    0.9263   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4909    2.1825   -0.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7914   -0.8016   -1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205   -2.1189   -1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9065   -1.5110    0.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6384    1.2042    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9354    2.7415    1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4866    2.1578    1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342   -1.4449   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3231   -1.9226   -0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.5639   -0.4241 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