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
-2.1799 -1.6928 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9246 -0.7171 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5499 -0.3552 -1.2328 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0218 0.2477 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7475 0.4740 0.9052 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3431 0.6373 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 1.2550 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1695 1.5962 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4820 -1.1903 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -2.3347 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0232 -2.3506 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 -1.1121 -2.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5090 0.2065 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9271 0.4380 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2276 1.4303 1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6143 2.0765 2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7686 1.3915 0.2930 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