Monomers

1-Methyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InchI Key
QSWFISOPXPJUCT-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)CC(=C)C1=O
Isomeric SMILES
CN1C(=O)CC(=C)C1=O
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
    2.4313   -0.8200    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -0.2863    0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9814    1.1725   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700    1.2022    0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    2.1760    0.8258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050   -0.0338   -0.1551 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0658   -0.9651   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281   -2.1879   -0.5845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -0.3018   -0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775   -1.8929    0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -0.2249    0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796    1.7979    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613    1.5047   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6055   -1.3898   -0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    0.1528   -1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0317    0.0963    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  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
  3 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