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
-3.3231 0.2332 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1384 -0.2403 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9848 0.1344 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2523 -0.1732 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 -0.7625 -1.5166 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4918 0.1454 0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7488 -0.1808 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8417 0.1547 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3410 -0.2970 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0856 1.2992 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2700 0.1591 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2316 0.3241 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1962 -1.3185 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4497 0.6327 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8568 -0.6903 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8419 0.6675 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8004 -0.0877 -0.1450 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