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
   -3.2496    1.2815    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1884    0.3820    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5809   -0.7393   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -1.6091   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870   -1.3560   -0.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1342   -0.2424   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    0.6241    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226   -0.0590    0.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    0.4015    1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688    0.7254    2.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731    0.4255    1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840    0.0179   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -0.3003   -0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5427   -0.7107   -2.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    1.9606    1.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7099    1.7991   -0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0575    0.7051    1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6242   -0.9492   -0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068   -2.4800   -1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548   -2.0391   -1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5533    1.5205    0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    0.7273    1.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8553   -0.0854   -0.5502 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