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
2.3810 0.7933 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1939 -0.6973 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 -1.0765 -0.4047 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1437 -0.5174 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2502 0.2889 0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2747 -0.8667 -0.8840 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5871 -0.3772 -0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9770 0.4653 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4184 1.2905 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5540 1.2031 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3710 0.9850 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0907 -1.2423 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9530 -1.0122 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0652 -1.5611 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3472 -0.7579 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3826 0.9410 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0306 0.7488 0.2338 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