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
-1.0438 2.3525 1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 1.5904 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 0.9005 -0.8999 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0496 -0.0852 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0822 -0.2662 0.8116 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7728 -0.7515 -1.3456 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6765 -1.7359 -0.9344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8599 -2.1348 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1152 3.4601 0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 2.1362 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4426 2.2028 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5064 0.8859 0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3707 2.3151 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6907 -0.4854 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3144 -2.2436 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6105 -2.9334 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3632 -1.7871 1.1644 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