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
-2.3800 0.6973 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1620 -0.6931 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1359 -0.7472 0.6280 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 -0.3541 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3387 0.0321 -0.8693 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 -0.3980 1.2595 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5473 -0.0258 1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0092 0.4065 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9872 1.4147 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7816 0.9116 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4491 0.8592 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9791 -1.4073 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0920 -1.0355 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9183 -0.7564 2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2378 -0.1216 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4553 0.5440 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0711 0.6734 -0.1669 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