Monomers

1-(3-Methylphenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=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
   -3.2864    0.5899    1.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1922    0.1773    0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -0.2732   -1.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5282   -0.6555   -1.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902   -0.5985   -1.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1512   -0.1505   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    0.2317    0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166   -0.0911    0.0777 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044    1.1072    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    2.2661   -0.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.7409    0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729   -0.5699    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647   -1.1569    0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0541   -2.3706    0.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2075   -0.0177    0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4908    1.6585    0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664    0.4990    2.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5888   -0.3270   -1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763   -1.0130   -2.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963   -0.9047   -2.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    0.5848    1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5013    1.4089    0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5419   -1.1359    1.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 13  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers