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
0.9935 -1.0861 -2.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3689 -1.1328 -0.9942 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0532 -2.2247 -0.4759 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1428 0.0637 -0.2962 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4246 0.2059 0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8364 -0.7802 1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5722 1.5669 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 1.7178 2.6563 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1569 2.6339 0.7913 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0405 -0.7712 -2.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 -2.0618 -2.8719 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4178 -0.3084 -2.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4417 0.9610 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2734 -0.5853 2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7998 -1.8129 1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2613 3.6142 1.0825 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