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
   -3.3159    0.9418    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1745    0.0032    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182   -1.3225   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3434   -2.1838   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425   -1.7111   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754   -0.3630   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008    0.4910    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4816    0.1635    0.0819 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561    0.3807   -1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1146    0.1393   -2.2372 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969    0.9363   -0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    1.0488    0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    0.5686    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.5387    2.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9909    0.8554   -0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8143    0.6636    1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487    1.9969    0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292   -1.7268   -0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274   -3.2325   -0.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8030   -2.3677   -0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6994    1.5497    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4689    1.2091   -1.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2346    1.4209    1.5434 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