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
Resources
cid=

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
   -2.3587    1.0600   -0.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1060   -0.2232    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7881   -0.6945   -0.2179 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264    0.0599    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2155    1.0950    0.9535 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6659   -0.3914   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.2716    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030    1.7119    0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2287   -0.2218    1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8388   -0.9392   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6334   -1.5564   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -1.2768   -0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   -0.0474    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231    1.1522    0.8932 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