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
   -1.4831   -0.6528   -1.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0889   -0.0937    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892    0.1189    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533    1.3453    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656   -1.0055   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9743   -1.9301   -0.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236   -1.5233   -1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194    0.8526    0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893   -0.8426    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    2.1986    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9154    1.5325    0.3191 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