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
    3.2219    1.3772    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    0.3502    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.8411    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -1.7779    1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.5035    0.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -0.3158    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8334    0.6212    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -0.0685    0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5840    0.2508    0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021    0.3729    2.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7811    0.4088    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4811    0.2082   -1.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0604   -0.0944   -1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -0.3457   -2.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297    2.1402   -0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5152    1.8945    1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1323    0.9032   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -1.0466    1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7822   -2.7422    1.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5471   -2.2679    1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410    1.5812   -0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7562    0.6475    0.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1465    0.2480   -2.0904 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