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
3.2824 0.7881 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2024 -0.1926 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9412 0.3682 -0.0141 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2424 -0.3267 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1504 -1.4413 -0.7968 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 0.1748 0.0999 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 -0.5743 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8958 -0.0843 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1012 1.7352 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 0.3491 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1991 0.9390 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3909 -1.1355 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1904 -0.4314 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5737 1.1081 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6882 -1.5410 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8091 -0.6179 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9839 0.8826 0.6508 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