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
   -3.1856    1.4060   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749    0.3218   -0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5898   -0.9888   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6772   -2.0112    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198   -1.6926    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024   -0.3821    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8175    0.6055   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -0.0398    0.1209 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933    1.2459    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011    2.3326    0.3588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5643    1.1397    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -0.1299    0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277   -0.9142    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -2.1774   -0.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8722    2.1886   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1426    0.9868   -0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    1.8158    0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6357   -1.2580   -0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839   -3.0458    0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3953   -2.5202    0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    1.6631   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    1.9673    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8860   -0.5129    0.1093 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