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
-2.7615 -0.6313 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2530 0.6866 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9754 1.0135 -0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1163 0.1775 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0127 -0.8831 -0.8959 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3817 0.5003 0.3475 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5186 -0.3438 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6667 -0.0257 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9910 -1.3166 -0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9999 -1.1854 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6903 -0.5110 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 0.6776 -1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9798 1.4698 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4311 1.3872 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4113 -1.2302 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7707 0.8732 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5208 -0.6586 0.5574 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