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
   -2.2451    1.7658   -1.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579    0.7971   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9420    0.3743   -0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9603   -0.6744    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752   -0.9915    0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -1.9244    1.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7003   -0.0725   -0.0199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2811    0.0036    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971   -1.1459    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8742   -1.0991    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5601    0.0956    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927    1.2393   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    1.1959   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0423    0.1321    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8410    0.8242   -0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8630   -1.1978    0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -2.0905    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639   -2.0168    0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386    2.1943   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1829    2.0987   -0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191   -0.3714   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521   -0.3250    1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3806    1.1885    0.0726 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