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
3.2292 0.2738 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9253 -0.5160 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9006 0.4009 -0.0297 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4218 -0.0780 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6535 -1.2670 -0.2017 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4037 0.8837 0.4016 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7701 0.5773 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3155 -0.5922 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7201 0.1493 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0163 1.3698 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8453 -0.0694 -1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6855 -0.9070 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 -1.3496 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1040 1.8831 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4172 1.4240 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8080 -1.4768 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4080 -0.7060 0.4486 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