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
    1.2185    0.2244   -1.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900   -0.5145   -0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819    0.0515    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -0.6812    1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656    1.3935    0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    2.4939    0.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8151    1.0837   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200   -1.5605   -0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105   -0.5318   -1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996   -1.7091    1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438   -0.2499    2.4193 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