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
   -2.4645    1.0387   -0.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9845    0.0960   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349    0.1566   -0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2639   -0.6844    0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367   -1.5061    1.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -0.6207    0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    0.2112   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096    1.2084   -1.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393   -0.9067   -0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176    0.2786    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859    0.8438   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672   -1.2809    1.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365    0.2527   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8741    0.9127   -0.7816 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