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
   -1.3640    1.3799    1.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    0.5878    0.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191   -0.8746    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -1.3405    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147   -2.4971    0.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995   -0.2268   -0.7120 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1204    0.9838   -0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3005    2.1518   -0.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -0.3154   -1.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1367    2.4366    1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0228    0.9950    2.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9165   -1.0550    0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0953   -1.2921    1.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6598    0.0377   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3854    0.3691   -2.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298   -1.3400   -2.1782 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