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
   -2.4657   -0.7802    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123   -0.2858    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9771    1.0359   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883    1.2662   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121    2.3767    0.3142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -0.0361    0.0482 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0506   -1.0129    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1407   -2.2529    0.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233   -0.2468    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569   -1.7754    0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3369   -0.1440    0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263    1.8505   -0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    0.9519   -1.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587   -0.4401   -0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471    0.6253    0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6111   -1.1322    0.7273 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