Monomers

1,3-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1,3-dimethylpyrrole-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h3H,1-2H3
InchI Key
HZSAZNPWHKCGKO-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)C
Isomeric SMILES
CC1=CC(=O)N(C1=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
-0.0687
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.5636   -0.5176    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702   -0.0428    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    1.0632   -0.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219    1.1887   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    2.1154   -1.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790    0.0678   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605   -0.7033    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639   -1.7874    1.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946   -0.2283    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -1.5992    0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1713   -0.3804   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    0.0206    1.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    1.7945   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1901    0.1833   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835    0.1561    1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   -1.3307    0.1728 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers