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
   -2.6155   -0.3022   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645    0.0826    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    1.2453    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711    1.2369    0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5319    2.1745    0.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954   -0.0385   -0.0486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123   -0.7546   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0716   -1.9372   -0.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -0.5131   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699    0.0178    0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754    0.1340   -0.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090   -1.4072   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    2.0930    0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -1.6184   -0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230   -0.0677    0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312   -0.3451   -1.2582 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