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
-2.6470 1.0158 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3099 -0.4328 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9902 -0.6650 0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -0.2898 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1913 0.2720 -1.2983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 -0.5041 0.1285 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4648 -0.0967 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7270 -0.2998 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1623 1.4589 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4965 1.6261 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7504 1.0555 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9710 -0.8058 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6192 -0.9786 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 -0.9664 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2673 0.3935 -1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 -0.7822 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5532 -0.0006 -1.0586 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