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
    2.3361   -2.2043   -0.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -0.9849   -0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9516   -0.4079   -0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8511    0.8990   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628    1.2718   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9610    2.4220    0.1165 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863    0.0585   -0.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2653   -0.0083    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2957   -0.2802    1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6608   -0.3577    1.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -0.1635    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9674    0.1071   -0.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055    0.1834   -1.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0101   -0.2465    0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.9290   -0.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6862    1.6145   -0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786   -0.4384    2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100   -0.5712    2.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6377    0.2635   -1.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491    0.3926   -1.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3522   -1.2280    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4715    0.0445   -0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3166    0.5630    1.3048 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