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
   -3.2730    1.0898   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2261    0.2204    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5320   -0.8311    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498   -1.6130    1.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299   -1.3669    1.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289   -0.2925    0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757    0.4784   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014   -0.0181    0.1443 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782   -0.3741   -0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8858   -0.9974   -1.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    0.1135   -0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7189    0.7380    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.6778    0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1291    1.1662    2.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3104    1.0082   -1.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366    2.1384   -0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2574    0.7547   -0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5998   -1.0226    1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8132   -2.4467    2.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -1.9464    1.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926    1.3112   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4824   -0.0010   -1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084    1.2135    0.7781 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