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
   -2.5986   -0.4320   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1659    0.0236   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2576    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019    1.3280    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    2.3379    0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    0.0149   -0.0145 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268   -0.7917   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -2.0442   -0.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -0.4235   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0336   -0.2406   -1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634    0.0846    0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6556   -1.5217    0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3970    2.1122    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6455   -1.2184   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    0.4209   -0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -0.9075    0.8580 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