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
3.3077 -0.4372 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1431 0.5191 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9667 -0.2462 0.0832 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2636 0.3603 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2572 1.5806 0.5897 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4733 -0.3763 0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7436 0.2549 0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8564 -0.4308 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 -0.7103 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0885 -1.3592 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2744 -0.0031 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 0.9701 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1640 1.3648 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4490 -1.3953 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7532 1.3126 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8116 -1.4679 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7921 0.0640 0.4147 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