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
   -2.5707   -0.4392    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    0.1041    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524    1.3250   -0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    1.3741   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4664    2.3691   -0.2875 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796    0.0282   -0.0148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -0.7586    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022   -2.0078    0.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365   -0.4570    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6773   -1.1546   -0.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272    0.3721    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6146   -1.0439    1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3809    2.1987   -0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5287   -1.5174   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132    0.1039   -0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901   -0.4967    1.0566 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