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
    2.5595   -0.5095   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -0.0169    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7904    1.2459    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846    1.3325    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3416    2.3826    0.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1857    0.0352   -0.0190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0502   -0.7927   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878   -2.0169   -0.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655   -0.3614   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275   -0.5563   -1.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    0.1943    0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -1.5223    0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    2.0845    0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269   -1.1703    0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.7920   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2519    0.4633    0.0614 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