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
2.6695 0.7347 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3864 0.0322 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4507 -0.6719 1.5953 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2438 0.2009 -0.2019 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9883 -0.3992 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2335 -1.1990 1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1242 -0.1247 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2259 -0.6503 -0.6074 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8911 0.7057 -1.9086 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5123 0.0950 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6007 0.8916 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7275 1.6771 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2863 0.8259 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5116 -1.4740 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2723 -1.5838 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6303 0.9395 -2.5797 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