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
    2.5333    0.6999    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282    0.1961   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004   -1.2273   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660   -1.1292    0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003   -1.9984    1.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149    0.1038    0.0238 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764    0.9456   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0222    2.1324   -0.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4248    0.4265   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3534    0.0245    0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    1.7518    0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064   -1.5901   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590   -1.8870    0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718    1.4203   -0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8642    0.4446    0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.3134   -0.6581 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