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
   -2.4236   -0.7862    0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938   -0.2456    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0165    1.1798   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4442    1.2937    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    2.3302    0.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464    0.0185   -0.0707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0247   -0.9373   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1204   -2.1885   -0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331   -0.3458   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3043   -0.1896    0.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4764   -1.8263    0.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6361    1.8134    0.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    1.3755   -1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6863   -0.9945    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    0.5266   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896   -1.0238   -1.1066 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