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
   -2.5807    0.2171    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492   -0.1568    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6157   -1.3657    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.2801   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6383   -2.2337   -0.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1775    0.0956   -0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0514    0.7904    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1479    2.0536    0.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5029    0.6709   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132    1.1917   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855    0.3762    1.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2731   -0.5196   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -2.2719    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -0.0018    0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    0.7781   -1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    1.6559    0.1496 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