Monomers

2-(Hydroxymethyl)-acrylonitrile

Identifiers

IUPAC name
2-(hydroxymethyl)prop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(2-5)3-6/h6H,1,3H2
InchI Key
QQCSUIMCEIRRKH-UHFFFAOYSA-N
SMILES
OCC(=C)C#N
Canonical SMILES
C=C(CO)C#N
Isomeric SMILES
C=C(CO)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
44.02
MolLogP
0.0585
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.3226    0.9454    1.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482    0.7543    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0145   -0.4112   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.3928   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2765    0.5783   -0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.2393   -1.2709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453    0.0066    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052    0.5499   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683    1.6982   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907   -2.3859    0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7064   -1.5821   -0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  2  8  1  0
  2  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers