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
   -2.6139   -0.1870    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256    0.0656    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289    0.3922    1.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931   -0.1762    1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6566   -0.6884    1.7928 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647   -0.0562   -0.3802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3443    0.0936   -0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792    0.2325   -2.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070   -0.0797   -1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2043   -0.1705    0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714   -0.4062   -0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -0.2369    2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113    1.4551    1.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    0.9757   -1.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   -0.5677   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063   -0.6459   -2.0631 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