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
    3.3992    0.4117   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178    0.0182   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400   -0.5348    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3567   -0.8987    1.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663   -0.7163    1.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832   -0.1643    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202    0.1944   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184    0.0199   -0.2042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.9835    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    1.7864    1.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6702    0.8869   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5780   -0.0572   -1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2279   -0.6529   -1.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7881   -1.5816   -1.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    0.4170   -1.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1800   -0.3334   -0.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4161   -0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651   -0.6612    1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -1.3285    2.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -1.0210    2.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7405    0.6213   -1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5327    1.5154   -0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002   -0.3211   -1.9350 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