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
-2.8201 -0.5920 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 0.7087 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8944 0.6231 -0.6606 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1051 0.2741 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2274 0.0164 1.4272 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4679 0.2014 -0.1669 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4834 -0.1580 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7496 -0.2353 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6633 -1.3826 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3340 -0.9482 1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9100 -0.4595 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8101 0.9674 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4266 1.4893 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7629 0.4090 -1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.3770 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0825 -0.0265 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4940 -0.5104 1.1511 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