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
-2.7975 0.4265 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2018 -0.9341 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9025 -0.8701 -0.6116 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1107 -0.2649 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1673 0.2248 1.2264 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4422 -0.1607 -0.3489 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4829 0.4554 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7019 0.5183 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4300 1.1565 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9216 0.3483 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5774 0.7300 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8414 -1.4271 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2528 -1.5766 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6538 -0.5800 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2803 0.8836 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.0866 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5233 0.9834 0.4230 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