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
   -2.3597    1.0326   -0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674    0.3341   -0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0927   -1.0361    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253   -0.8801    0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072   -1.3558    2.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949   -0.0624    0.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    0.7060   -0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913    1.5514   -1.5914 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626   -0.0128    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3002    2.0097   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    0.6661   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8997   -1.3152    0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9523   -1.7128   -0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8165   -0.7631   -0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110    0.9998   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -0.1611    1.0304 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