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
    3.2650   -1.2091    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815   -0.2176    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    1.0947    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5459    2.0263   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185    1.6099   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    0.3146    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8464   -0.6347    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -0.0657    0.1595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6057    0.8003   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6542    2.0355   -0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8459    0.0221    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5115   -1.2089    0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597   -1.3481    0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -2.4336    0.6648 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890   -1.3374   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8879   -2.1918    0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9612   -0.7708    1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5864    1.4054    0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147    3.0711   -0.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4901    2.4274   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396   -1.6960    0.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8660    0.3808   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1733   -2.0743    0.4987 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