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
   -3.1074    1.6621   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1899    0.4928    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582   -0.7817    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197   -1.8587    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484   -1.6566    0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889   -0.3926    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7990    0.6411   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5077   -0.1893   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164    1.0293    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617    2.1394    0.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6539    0.8118    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -0.4699   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5219   -1.1453   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523   -2.3634   -0.4969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225    2.4738   -0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0322    1.3915   -0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360    2.1143    0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7262   -0.9373    0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1751   -2.8568    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -2.4741    0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564    1.6647   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3886    1.5960    0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8037   -0.8911   -0.4280 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