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
1.8971 0.4080 2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1498 0.7074 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 1.7228 0.2740 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1273 -0.1380 0.4263 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6596 -0.0005 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 0.9809 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6832 -0.9974 -1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3799 -0.8841 -2.0598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8585 -2.0574 -0.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9755 0.5152 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -0.6212 2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.1094 2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0607 -0.9958 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 1.7590 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 1.0343 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7497 -2.5424 -0.1618 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