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
   -2.6050   -0.3347    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1628    0.0597   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    1.2605   -0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651    1.2684   -0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5258    2.2406   -0.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921   -0.0452    0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014   -0.7930    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477   -2.0254    0.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.5165    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0692    0.0254    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1570    0.1147   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646   -1.4326   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    2.1184   -0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908   -1.5802    0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0536   -0.4322   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684    0.0721    0.9285 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