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
   -2.5559   -0.4737    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    0.0823    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7540    1.3220    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    1.3840   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    2.3832   -0.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    0.0419   -0.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065   -0.7678   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318   -2.0197   -0.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -0.4275   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3295    0.2416   -0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6031   -1.4542   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252   -0.6907    1.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951    2.1761    0.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1434    0.1121   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0509   -0.4082    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267   -1.5014   -0.4573 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