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
   -2.4895   -0.8439   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3075   -0.3142    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391    1.0798    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910    1.2764    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297    2.3773    0.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243    0.0193   -0.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   -0.9638   -0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1511   -2.2061   -0.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4606   -0.2555   -0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5736   -1.8673   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -0.2477   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035    1.8168   -0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281    1.1147    1.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537   -1.1485    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600    0.5861    0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367   -0.4232   -1.2365 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