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
    3.2669    0.9990    0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736    0.2167    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -0.8781   -0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5923   -1.6815   -1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719   -1.3309   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1268   -0.2428   -0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8300    0.5447    0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5158    0.0693   -0.0673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5473   -0.8321    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214   -2.0242    0.6983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8341   -0.1501    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6065    1.0709   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1912    1.2924   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6404    2.3470   -0.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    2.0318    1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    0.4448    1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588    1.0529    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5691   -1.1540   -0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.5410   -1.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864   -1.9357   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5818    1.4101    1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7996   -0.5561    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3541    1.8468   -0.1355 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