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
-2.7418 0.1774 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2105 -0.1827 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8823 0.2960 -1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0947 -0.1512 -0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 -0.9952 0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4353 0.2884 -0.2871 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3630 -0.2177 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6122 0.2042 0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5394 0.9365 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1115 -0.7087 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9100 0.5892 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 -1.2988 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8468 0.2435 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7439 0.9820 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0403 -0.9362 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9380 0.9262 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3678 -0.1527 1.2860 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