Monomers
Vinylcarbamic acid ethyl ester
Identifiers
IUPAC name
ethyl N-ethenylcarbamate
InchI
InChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,1,4H2,2H3,(H,6,7)
InchI Key
HNPDNOZNULJJDL-UHFFFAOYSA-N
SMILES
CCOC(=O)NC=C
Canonical SMILES
CCOC(=O)NC=C
Isomeric SMILES
CCOC(=O)NC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H9NO2
Heavy Atom Count
8
Molecular Weight
115.132
Exact Molecular Weight
115.0633
Valence Electrons
46
Radical Electrons
0
tPSA
38.33
MolLogP
0.876
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
17 16 0 0 0 0 0 0 0 0999 V2000
2.5312 -0.5931 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9587 -0.8356 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 0.0703 1.0281 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2570 0.1115 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3043 -0.6706 -0.7276 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3422 0.9810 0.4837 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5297 1.1086 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8131 0.4000 -1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5584 -0.1845 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6228 -1.5427 -1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 0.0723 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5581 -1.8839 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7160 -0.7292 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2258 1.6255 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 1.8422 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2154 -0.3626 -1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7812 0.5907 -1.7666 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
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers