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
-2.8339 -0.5905 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2445 0.6796 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9060 0.5883 -0.7681 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1356 0.2325 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 -0.0293 1.2493 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4437 0.1922 -0.4993 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5503 -0.1594 0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7525 -0.1915 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7661 -0.8923 -0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1438 -0.4509 1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 -1.4623 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4454 1.5429 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8255 0.9521 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5881 0.4234 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4267 -0.4063 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5814 -0.4645 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9559 0.0358 -1.2772 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