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
-2.8599 0.0192 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1417 -0.5174 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8184 -0.0557 -1.0612 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1426 -0.2726 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1749 -0.9079 0.9181 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4636 0.2258 -0.3008 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4627 0.0170 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6776 0.4802 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9481 0.0018 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5988 1.0755 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7296 -0.6162 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7313 -0.2777 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0946 -1.6362 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 0.7610 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2281 -0.5260 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4737 0.3389 1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9359 1.0298 -0.4222 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