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
   -2.0781    1.5588   -1.8428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244    0.6760   -1.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9153    0.2901   -0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9560   -0.6700    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5927   -0.9685    0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686   -1.8323    1.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903   -0.1091   -0.2094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -0.0298   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -1.1246   -0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136   -1.0434   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    0.1167    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441    1.2128    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    1.1366    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185    0.2261    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7736    0.7211   -1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8540   -1.1628    0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0711   -2.0515   -0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5519   -1.8999   -0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295    2.1434    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    2.0110    0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706    0.6375   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514   -0.7771    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043    0.9390    1.0988 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