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
   -2.5906   -0.4388    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1781    0.0424    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7806    1.2555   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796    1.2979   -0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659    2.3046   -0.5996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720   -0.0140   -0.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126   -0.7968    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0698   -2.0244    0.4278 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5649   -0.4175   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7643   -1.1707   -0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698   -0.8954    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2520    0.4296    0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824    2.0880   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -1.5143    0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0546   -0.1808   -1.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351    0.0347    0.7437 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