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
    2.3564   -2.2285    0.3137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090   -1.0589   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304   -0.5426   -0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    0.7244   -0.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    1.1200   -0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893    2.2428   -0.9259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960    0.0043   -0.2311 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854   -0.0373   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3051   -0.6859    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6834   -0.6915    1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5231   -0.0447    0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9386    0.6065   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719    0.6079   -0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0045   -0.0528    0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464   -1.1151   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7206    1.3430   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -1.1922    1.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441   -1.2035    2.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6188    1.1148   -1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1157    1.1267   -1.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5330   -0.6852   -0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2149   -0.3458    1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4251    0.9934    0.4862 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