Monomers
2-Acetamidoacrylic acid
Identifiers
IUPAC name
2-acetamidoprop-2-enoic acid
InchI
InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
InchI Key
UFDFFEMHDKXMBG-UHFFFAOYSA-N
SMILES
CC(=O)NC(=C)C(=O)O
Canonical SMILES
CC(=O)NC(=C)C(=O)O
Isomeric SMILES
CC(=O)NC(=C)C(=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7NO3
Heavy Atom Count
9
Molecular Weight
129.115
Exact Molecular Weight
129.0426
Valence Electrons
50
Radical Electrons
0
tPSA
66.4
MolLogP
-0.2792
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
2.6955 -0.4143 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2216 -0.5833 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7728 -1.7226 -0.1584 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3740 0.5160 0.0388 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0136 0.5795 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 1.8089 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8960 -0.5226 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1666 -0.2624 -0.3266 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6062 -1.8573 -0.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9098 -0.4651 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2361 -1.2219 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9446 0.5820 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 1.4705 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6523 1.9427 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0007 2.6986 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1044 -2.5487 0.2140 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
5 7 1 0
7 8 2 0
7 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
4 13 1 0
6 14 1 0
6 15 1 0
9 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers