Monomers
1-Ethyl-3-vinylimidazolidine-2-one
Identifiers
IUPAC name
1-ethenyl-3-ethylimidazolidin-2-one
InchI
InChI=1S/C7H12N2O/c1-3-8-5-6-9(4-2)7(8)10/h3H,1,4-6H2,2H3
InchI Key
SWIIURYBQJUUFY-UHFFFAOYSA-N
SMILES
CCN1CCN(C1=O)C=C
Canonical SMILES
CCN1CCN(C1=O)C=C
Isomeric SMILES
CCN1CCN(C1=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H12N2O
Heavy Atom Count
10
Molecular Weight
140.186
Exact Molecular Weight
140.095
Valence Electrons
56
Radical Electrons
0
tPSA
23.55
MolLogP
0.8874
H Bond Acceptors
1
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
22 22 0 0 0 0 0 0 0 0999 V2000
-2.8197 1.5673 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3229 0.1867 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9530 -0.0335 0.2385 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 -0.6111 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8596 -1.1682 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3631 -0.2871 0.2806 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2317 0.2297 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2925 0.8328 2.0703 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7492 -0.0018 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6909 -0.5602 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8843 1.5274 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2452 1.8760 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7215 2.3026 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5241 0.0326 1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0063 -0.5382 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2372 -1.3722 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4157 0.2282 -1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 -1.1125 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8272 -2.2069 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9830 0.6735 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4172 -1.2338 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7155 -0.3312 0.0381 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 1 0
5 6 1 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 2 3
7 3 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
9 20 1 0
10 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers