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
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
-2.3077 1.4333 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 0.3952 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3001 -0.5576 -0.4882 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -0.1124 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 1.1019 -0.4914 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 -0.9874 0.0221 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4119 -0.5516 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3357 -1.4248 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3530 1.7519 0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9356 0.9765 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6518 2.2935 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0122 0.8698 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2820 -0.0826 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 -1.9850 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7028 0.4832 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3722 -1.1427 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0721 -2.4611 0.6476 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