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
3.1833 0.2165 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9717 0.2368 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 -0.0417 0.6217 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4038 -0.0401 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3635 0.1945 -1.3783 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6489 -0.3071 0.4698 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8781 -0.3281 -0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1007 -0.1207 -1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0764 0.3391 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2557 -0.7343 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1609 1.0996 1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 1.1829 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0606 -0.5761 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6102 -0.4992 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7555 -0.5532 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4040 0.1116 -2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1501 -0.1806 -1.8205 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