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
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
-2.4260 -0.8946 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 -0.3900 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0214 0.9484 -0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 1.2980 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6393 2.4388 0.3898 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 0.0638 0.0688 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -1.0189 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 -2.2596 0.1107 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 -0.0589 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4181 -1.8788 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3081 -0.2916 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8137 1.6706 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8246 0.7727 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7732 0.0278 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6973 -1.0764 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9657 0.6488 -0.5139 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