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
3.2381 0.8576 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1929 -0.2285 -0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 0.4298 -0.2402 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2201 -0.3193 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1006 -1.5700 -0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5259 0.2134 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6642 -0.6453 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8705 -0.1385 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2563 0.4459 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1290 1.3242 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9888 1.6447 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 -0.9289 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 -0.7519 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6521 1.2421 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5200 -1.7119 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0104 0.9190 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7173 -0.7825 0.2235 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