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
   -3.3757    0.7201    0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    0.1113   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274   -0.6639   -1.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3581   -1.2173   -1.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0719   -0.9899   -1.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798   -0.2252   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9193    0.3171    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041    0.0030    0.2042 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355   -0.7229    1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094   -1.7443    1.8225 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671   -0.1018    1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6551    0.9348    0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010    1.0507   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    1.8976   -1.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9778    1.3989    1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906    1.3239   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629   -0.0941    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4573   -0.8049   -1.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5400   -1.8152   -2.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -1.4285   -1.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431    0.9115    1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391   -0.4444    2.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121    1.5833    0.3997 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