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
   -2.5751   -0.4501   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1686    0.0607   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575    1.2972    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6978    1.3584    0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469    2.3716    0.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1729    0.0408    0.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0182   -0.7903   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -2.0387   -0.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520   -0.4332   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6031   -1.5334    0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2513    0.0602    0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659   -0.3415   -1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802    2.1732    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681   -1.3992   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307   -0.6593    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158    0.2835   -0.5363 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