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
   -3.0964    0.8374    1.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    0.2418    0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6459   -0.4352   -0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7817   -0.9901   -1.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4160   -0.8712   -1.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1235   -0.1848   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847    0.3560    0.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179   -0.0534   -0.1584 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696   -0.9219    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157   -1.9590    1.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492   -0.3951    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7328    0.7089   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.9705   -0.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9743    1.9409   -1.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6558   -0.0264    1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5598    1.3200    2.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107    1.4892    0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7059   -0.5306   -0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2523   -1.5112   -2.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -1.3160   -2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    0.8865    1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861   -0.8776    0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    1.3212   -0.5155 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