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
    1.9040    2.3449   -0.3903 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464    1.2176   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683    0.9000   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9974   -0.4149   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6654   -1.0199    0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4479   -2.2243    0.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6912    0.0092   -0.0676 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2714   -0.0552   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180    0.6749   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8785    0.6441   -0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331   -0.1280    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936   -0.8706    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4108   -0.8120    0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388   -0.1661    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    1.6421   -0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758   -0.8961   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    1.2846   -1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031    1.2083   -1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062   -1.4790    1.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358   -1.4089    1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4054    0.2317   -0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3191    0.5133    0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -1.1959    0.2652 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