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
2.6927 0.2121 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0959 0.8740 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 0.2108 -1.1693 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1056 0.2128 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0503 0.7775 0.9224 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3627 -0.4365 -0.4234 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3564 -0.4139 0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5164 -0.9948 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 -0.3691 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0278 0.9375 1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9918 -0.5113 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8560 1.9330 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7994 0.8661 -1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 -0.8938 -1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1722 0.0862 1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7104 -1.4962 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2867 -0.9944 1.1837 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