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
    2.1116   -1.1970   -2.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -0.5746   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.3450   -0.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    0.3345    0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5808    0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2654    1.2070    2.0236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450   -0.0032    0.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2280    0.0088    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4111    1.0564    0.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    1.0455    0.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5127    0.0005    0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -1.0524   -0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -1.0168   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928   -0.0329    0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -0.6411   -1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8117    0.6556    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733    1.8701    1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163    1.8580    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205   -1.8793   -0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -1.8094   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    0.3159   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3001   -1.0699    0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3150    0.6883    1.0646 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