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
-2.7071 0.3250 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3122 -0.5580 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9959 -0.1831 -1.1981 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0784 -0.2629 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0974 -0.6881 0.8343 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3774 0.1284 -0.7655 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4749 0.0394 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6838 0.3951 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2700 1.3408 0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3417 -0.1863 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8114 0.4290 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2639 -1.6113 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9792 -0.4045 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5309 0.4876 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3130 -0.3237 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8292 0.7571 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4913 0.3156 0.4670 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