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
    1.4477   -0.9124   -0.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3233   -0.9778   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    0.3709    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079    0.7982    1.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155    1.1955   -0.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808    1.8368   -1.8505 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315   -1.2764   -1.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -1.5627   -0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.4819    0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229    0.2312    2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7185    1.7785    1.5786 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