Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=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
   -2.2185    2.0875    1.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5643    0.9823    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280    0.4847    0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874   -0.7099    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5136   -1.0764   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059   -2.1452   -0.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6918   -0.0013    0.2306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687    0.0193    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.0557    0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673   -1.0384    0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    0.0777   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    1.1511   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733    1.1173   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814    0.0955   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8379    0.9838    0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7622   -1.3511   -0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -1.9431    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992   -1.8691    0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    2.0191   -0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042    1.9663   -0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    0.2243   -1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534    0.8756    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3927   -0.8942    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers