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
   -2.5998   -0.2424   -0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631    0.1411   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.2864    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847    1.2188    0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558    2.1472    0.7668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770   -0.0929    0.0466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480   -0.7696   -0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814   -1.9795   -0.6244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -0.6188   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276    0.6420   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800   -0.6457    0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6671   -1.0385   -1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130    2.1529    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -1.6458   -0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423   -0.5338    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335   -0.0215   -0.7453 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