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
    1.9831    2.3280   -0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623    1.1539   -0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643    0.8064   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -0.5131   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6174   -1.1182   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -2.3233   -0.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808   -0.0579   -0.0399 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490   -0.0780    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -0.8987    0.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001   -0.9210    1.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -0.0797    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698    0.7406   -0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4832    0.7657   -0.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0044   -0.0162    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6940    1.5226   -0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8599   -1.1211   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -1.5467    1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105   -1.5867    1.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    1.4216   -1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497    1.4060   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4019   -0.7023   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4014   -0.2428    1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2895    1.0610    0.0634 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