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
-3.1840 0.7979 0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 -0.2842 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8978 0.2683 0.2003 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2135 -0.4915 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0528 -1.7235 -0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5238 0.0248 -0.1883 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 -0.7976 -0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8680 -0.3539 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7377 1.7667 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3538 0.8497 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1317 0.6637 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4812 -0.8474 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 -1.0109 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 1.0404 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4461 -1.8587 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0792 0.6954 -0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6795 -0.9900 -0.8323 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