Monomers
N-(Hydroxymethyl)acrylamide
Identifiers
IUPAC name
N-(hydroxymethyl)prop-2-enamide
InchI
InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)
InchI Key
CNCOEDDPFOAUMB-UHFFFAOYSA-N
SMILES
OCNC(=O)C=C
Canonical SMILES
C=CC(=O)NCO
Isomeric SMILES
C=CC(=O)NCO
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H7NO2
Heavy Atom Count
7
Molecular Weight
101.105
Exact Molecular Weight
101.0477
Valence Electrons
40
Radical Electrons
0
tPSA
49.33
MolLogP
-0.7616
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
14 13 0 0 0 0 0 0 0 0999 V2000
2.4798 0.4266 0.5044 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8970 -0.1747 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4495 0.0196 -0.5879 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 -0.4794 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3165 -1.0737 1.4159 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7680 -0.3083 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4499 0.3079 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8475 1.3325 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1612 -1.2518 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 0.2323 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0232 0.5216 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3141 -0.7010 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0328 0.7466 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5200 0.4017 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
1 8 1 0
2 9 1 0
2 10 1 0
3 11 1 0
6 12 1 0
7 13 1 0
7 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers