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
-2.5151 -0.3677 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0490 -0.4918 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 0.3436 -1.2181 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2499 0.1435 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2194 -0.7753 0.3760 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 0.9342 -0.6588 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5905 0.8093 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8385 -0.0562 0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 0.5751 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6381 -0.3643 0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 -1.2733 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 -1.5422 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8614 -0.3069 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 1.6951 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4193 1.5064 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1832 -0.7940 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8449 -0.0355 1.4192 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