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
   -3.2136   -1.3334   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.2474   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6043    1.0509    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292    2.0446    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744    1.7074    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337    0.4026    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861   -0.5367   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011    0.0188    0.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.0398   -1.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629    0.4001   -2.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017   -0.4394   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719   -0.7362    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -0.4716    1.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466   -0.6429    2.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864   -1.2307   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9727   -1.3252    0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955   -2.3262   -0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6611    1.2992    0.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9229    3.0756    0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712    2.4827    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5317   -1.5657   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860   -0.5482   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5146   -1.1183    1.1698 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