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
   -2.5341   -0.4686   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1462   -0.0021   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7719    1.2584    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    1.3373    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    2.3597    0.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531    0.0037   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347   -0.8714   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0366   -2.1221   -0.2656 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412   -0.4104   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903   -1.2978   -0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1893    0.3596   -0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8637   -0.7598    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    2.1074    0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037   -0.9593   -0.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    0.4797    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637   -1.0143    0.8782 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