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
-2.6755 -0.6766 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 0.6321 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6224 0.6580 1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1880 0.2869 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3217 -0.0883 -0.9956 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6478 0.3527 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 0.0052 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9330 -0.3624 -1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7795 -0.5031 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3105 -1.2874 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6297 -1.3224 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3662 1.0695 2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4231 1.3733 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9392 0.6927 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5923 0.2779 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0296 -0.4304 -2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3454 -0.6777 -2.7208 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