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
    2.2102    1.4866   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    0.6077   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   -0.8449    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251   -1.2223    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806   -2.2402    1.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144   -0.2353   -0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030    0.8715   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    1.9376   -0.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568   -0.3794   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    1.1793    0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332    2.5053   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5713   -1.3648   -0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9868   -1.0852    1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.6151   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7623   -0.8427   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8601   -0.9882    0.7349 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