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
-2.8137 -0.3865 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2193 0.9054 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8436 1.0271 0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1036 0.1339 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2933 -0.8179 -1.0232 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4578 0.3554 0.0397 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4457 -0.5398 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7383 -0.3884 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1169 -0.9769 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6880 -0.1319 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1276 -1.0615 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7409 1.8033 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3330 0.9303 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7141 1.1805 0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1518 -1.3720 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0919 0.4245 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4734 -1.0855 -0.4928 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