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
3.3833 -0.3548 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0737 0.1442 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9747 -0.3282 -0.1098 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3287 0.0169 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4907 0.7773 1.1974 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4488 -0.4202 -0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7772 -0.0233 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8069 -0.4398 -0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2571 -0.9473 -0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8617 -0.9441 0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0264 0.5362 -0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0332 1.2710 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 -0.2143 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 -1.0408 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9030 0.6266 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6185 -1.0792 -1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7892 -0.1149 -0.6099 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