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
   -2.3821    0.7870   -2.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    0.3633   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0029    0.2244   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9169   -0.2410    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -0.4260    1.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922   -0.8575    2.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780   -0.0392    0.1089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.0393    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5406   -0.7495    0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9146   -0.7410    0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618   -0.0121   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864    0.7065   -1.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4114    0.6895   -0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0536    0.0523   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9020    0.4761   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7925   -0.4315    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0233   -1.3370    1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900   -1.3184    1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110    1.2813   -1.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1785    1.2582   -1.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267   -0.0082    0.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3473    1.0619   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3688   -0.6995   -0.9775 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