Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=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
   -1.7827    0.3208   -2.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    0.2732   -1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8238    0.3250   -1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879    0.2431    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6985    0.1346    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623    0.0400    2.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888    0.1539   -0.1404 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2811    0.0725    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476   -0.7490   -0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150   -0.8970   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -0.2010    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8051    0.6242    1.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161    0.7674    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9981   -0.3333    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6056    0.4169   -1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9341    0.2535    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515   -1.3139   -1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3416   -1.5526   -1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546    1.1812    1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183    1.4148    1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3661   -1.0460   -0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    0.6459    0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828   -0.7740    1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers