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
   -2.6099   -0.3765    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799    0.0936   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205    1.3143   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    1.3366   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683    2.3533   -0.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -0.0169   -0.0021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206   -0.7896    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367   -2.0529    0.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -0.5039    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3016    0.4282   -0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974   -0.8417    1.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6372   -1.2285   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798    2.1936   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360    0.1482    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5181    0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0078   -0.5396   -0.9743 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