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
   -0.4108    0.0801    1.8181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    0.1724    0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115   -0.0298   -0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639   -1.0179   -1.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154    0.8704   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    1.5993   -0.1926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435    0.6214    2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509   -0.5679    0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    1.1961    0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -1.7234   -1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -1.2007   -1.9072 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