Monomers
1-Ethyl-3-methylidenepyrrolidine-2,5-dione
Identifiers
IUPAC name
1-ethyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h2-4H2,1H3
InchI Key
BMZZOWWYEBTMBX-UHFFFAOYSA-N
SMILES
CCN1C(=O)CC(=C)C1=O
Canonical SMILES
CCN1C(=O)CC(=C)C1=O
Isomeric SMILES
CCN1C(=O)CC(=C)C1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
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
19 19 0 0 0 0 0 0 0 0999 V2000
2.7299 0.1747 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7916 -0.8165 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4079 -0.4514 -0.1189 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4113 -0.8797 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0256 -1.4075 2.0165 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8378 -0.5946 0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7525 0.5334 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6479 1.4528 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4210 0.4111 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0320 0.9890 -1.9530 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5621 -0.3253 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1336 0.7925 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1259 0.9167 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0247 -0.8218 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9935 -1.8119 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4308 -0.3465 1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2293 -1.4793 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5993 1.4608 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4329 2.2033 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 3
7 9 1 0
9 10 2 0
9 3 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
6 16 1 0
6 17 1 0
8 18 1 0
8 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers