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
    2.7048    0.2423    1.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    0.1924   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734    0.0688    0.1453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -0.0053   -0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0632    0.0421   -2.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8254   -0.1282   -0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3712   -0.1834    0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1110   -0.1262    1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    1.1263   -0.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345   -0.6722   -0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490    0.0339    1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869   -0.1779   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476   -0.1372    1.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4464   -0.2755    0.6550 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