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
   -3.2787    1.1138    0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049    0.1572   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5464   -1.0611   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5158   -1.9206   -0.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816   -1.5753   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582   -0.3569   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830    0.4964    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097    0.0308    0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751    0.2025   -0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845    0.0263   -2.1225 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    0.6145   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888    0.6962    1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849    0.3411    1.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266    0.2975    2.4041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1073    0.6326    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6047    1.7232   -0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8397    1.8686    1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -1.3731   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7332   -2.8960   -1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -2.2646   -1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853    1.4487    0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7308    0.8180   -0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    0.9803    1.9427 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