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
-2.4525 0.9982 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2973 0.3693 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0769 -1.1051 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3445 -1.2051 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 -2.1715 1.0773 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0446 -0.0536 0.0142 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0458 0.8933 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3121 2.0631 -0.7765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5031 0.1304 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5090 2.0600 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3713 0.4678 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3411 -1.6835 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6750 -1.4018 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9964 -0.1904 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 1.2408 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9379 -0.4121 -0.9100 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