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
   -3.2895    1.3255    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913    0.3226    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -1.0128   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634   -1.9815   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291   -1.6420   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1286   -0.3112   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561    0.6595    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5168    0.0083   -0.0282 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859    0.4180   -1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    0.5811   -2.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    0.6381   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137    0.3912    0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962   -0.0126    1.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053   -0.3277    2.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0634    1.1086   -0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    1.0957    1.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8969    2.3464    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5758   -1.3394   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8216   -3.0278   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378   -2.3836   -0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686    1.7004    0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4894    0.9594   -1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251    0.4837    1.2341 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