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
    3.0091    1.7449    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363    0.5424    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901   -0.7215    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -1.8389   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4950   -1.6656   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834   -0.4019   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7545    0.6784    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924   -0.2207   -0.1255 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494    0.6946    0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808    1.4356    1.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    0.5858    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554   -0.3290   -0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622   -0.8693   -0.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154   -1.7582   -1.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    1.7646   -0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020    2.6611    0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161    1.6380    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7468   -0.7853    0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -2.8312   -0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1865   -2.5211   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056    1.6714    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4421    1.1670    0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7076   -0.6411   -1.0474 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