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
    2.5608   -0.5460   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760   -0.0169   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368    1.2457    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6279    1.3511    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922    2.3887    0.4679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1895    0.0597    0.0412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   -0.7953   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364   -2.0303   -0.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936   -0.3205    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196   -1.4508   -0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2629    0.2095   -0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -0.8933    0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357    2.0620    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617    0.1671    0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.4018    0.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0815   -0.0289   -0.9419 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