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
2.4313 -0.8200 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2975 -0.2863 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9814 1.1725 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4700 1.2022 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 2.1760 0.8258 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0050 -0.0338 -0.1551 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0658 -0.9651 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0281 -2.1879 -0.5845 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3899 -0.3018 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 -1.8929 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2833 -0.2249 0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5796 1.7979 0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1613 1.5047 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6055 -1.3898 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7095 0.1528 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0317 0.0963 0.3719 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