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
    2.0988    2.0000   -1.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5054    0.9876   -0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9017    0.6016   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510   -0.5059    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796   -0.9457    0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150   -1.9536    1.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7015    0.0006   -0.0823 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673   -0.0163   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356   -1.1833    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122   -1.1823    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252   -0.0251   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622    1.1437   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749    1.1566   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.0251    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7525    1.1529   -0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0330    0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073   -2.1201    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3597   -2.1290    0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3953    2.0702   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    2.0864   -0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3650    0.4634   -0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4252   -1.0471    0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3040    0.5036    0.9363 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