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 0.5225 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3369 -0.4024 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0105 -0.8758 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 -0.0426 0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1007 1.1978 0.5581 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4202 -0.5447 0.3182 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5439 0.3254 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7603 -0.1601 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6694 -0.0210 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1860 1.4664 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8109 0.7660 -0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5372 0.0200 1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9907 -1.3203 0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5676 -1.5741 0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4493 1.3994 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9090 -1.2228 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6343 0.4664 0.1315 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