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
   -2.6156    1.1289   -0.7026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9637   -0.0440   -0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136    0.1927   -0.3345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541   -0.8804   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -1.9959    0.2537 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999   -0.7482    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.3884   -0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5499    1.8054   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -0.2426    0.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323   -0.8733   -1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1229    1.1335   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977   -1.6081    0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087    1.3005   -0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    0.4430   -0.1596 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