Monomers
N-Vinylacetamide
Identifiers
IUPAC name
N-ethenylacetamide
InchI
InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)
InchI Key
RQAKESSLMFZVMC-UHFFFAOYSA-N
SMILES
CC(=O)NC=C
Canonical SMILES
CC(=O)NC=C
Isomeric SMILES
CC(=O)NC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H7NO
Heavy Atom Count
6
Molecular Weight
85.106
Exact Molecular Weight
85.0528
Valence Electrons
34
Radical Electrons
0
tPSA
29.1
MolLogP
0.266
H Bond Acceptors
1
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
13 12 0 0 0 0 0 0 0 0999 V2000
2.2190 0.0842 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7133 0.1669 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1780 0.6173 1.4803 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0660 -0.2846 -0.6368 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4755 -0.2672 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3026 0.1386 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4770 -0.7050 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5737 -0.1482 1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5750 1.0913 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4569 -0.6667 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9671 -0.6561 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9950 0.5359 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3867 0.0937 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
4 10 1 0
5 11 1 0
6 12 1 0
6 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers