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
3.2397 -0.7331 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1770 0.1898 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9469 -0.2664 0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2784 0.3158 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1864 1.2946 -1.1110 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 -0.1230 0.2224 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 0.5212 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8615 0.0966 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2529 -0.3595 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9885 -0.7890 1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0530 -1.7326 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4227 1.2197 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2442 0.0747 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 -0.9343 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6704 1.3540 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7563 0.6050 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8725 -0.7335 1.0298 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