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
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
-3.3447 -0.4025 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1378 0.5104 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9794 -0.3019 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 0.3116 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 1.5694 -0.0381 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4840 -0.4101 0.0115 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 0.2219 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8850 -0.4360 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9853 -0.2041 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0593 -1.4705 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9154 -0.1650 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0880 1.1606 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1904 1.1711 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4481 -1.4495 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7793 1.2976 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8132 0.0996 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -1.5027 0.0403 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