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
-2.7808 -0.4581 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2546 0.7884 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9460 1.0983 -0.0067 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1147 0.2172 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1047 -0.8961 -0.6877 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4291 0.4917 0.2882 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 -0.4846 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.2631 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8839 -0.4559 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5021 -1.3511 -0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2875 -0.5927 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 0.6369 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9205 1.6290 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6405 1.4052 0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2247 -1.4291 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4461 -1.0242 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9326 0.6883 0.9680 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