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
    3.1413    0.6302    1.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540    0.4801    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269    0.5032   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022    0.3696   -1.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3615    0.2191   -1.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169    0.1957   -0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047    0.3290    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987    0.0543   -0.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2236    0.7178    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    1.5484    1.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6137    0.2803    0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7781   -0.6006   -0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4513   -0.7633   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1761   -1.5241   -1.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    1.6207    1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381   -0.1936    2.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1805    0.5263    1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6892    0.6252   -1.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785    0.3917   -2.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566    0.1123   -2.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702    0.3115    1.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4616    0.5705    1.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6904   -1.0970   -0.4291 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