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
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
-2.2179 -0.6717 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0708 0.7420 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2183 0.7790 0.5097 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1073 0.3612 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5040 -0.0394 -0.6966 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0068 0.3730 1.4935 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3423 -0.0182 1.5081 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0815 -0.4847 0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 -1.0347 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5318 -1.3814 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1397 -0.6231 -2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 1.4485 -1.4126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0717 1.1122 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5783 0.7327 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8692 0.0741 2.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6738 -0.6150 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1134 -0.7546 0.6780 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