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
3.2335 -0.2186 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 0.0840 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8859 -0.0852 0.4377 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2236 0.1304 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0909 0.4953 -1.5310 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5050 -0.0559 0.1972 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7102 0.1428 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9020 -0.0351 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 -0.2654 0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2041 0.4750 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0369 -1.2547 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3076 1.1793 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 -0.4724 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6224 -0.3644 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6252 0.4564 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7660 0.1363 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0766 -0.3477 1.0024 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