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
    2.4150    1.0659    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661    0.4122    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   -1.0330    0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3613   -1.2740    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8956   -2.3952    0.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0406   -0.0779   -0.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0598    0.9519   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047    2.1520   -0.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713    0.0684   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3397    0.5477    0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    2.1207   -0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -1.2869    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6551   -1.6694   -0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139    1.0462    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956    0.0894   -1.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.7181    0.2474 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