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
-2.6086 -0.1276 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7521 -0.8976 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4132 -0.3019 0.2514 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 0.7151 1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8288 1.4939 1.7645 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 0.6358 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 0.2236 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8935 0.5073 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7251 -0.6414 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 -1.4976 -1.4739 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9322 0.4421 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2576 -0.8347 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2365 0.5846 -0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2324 -0.9883 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6002 -1.9182 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6690 -0.2253 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9142 1.5580 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6375 1.1484 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0321 0.1238 -1.8064 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