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
   -0.5004   -1.0184   -1.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992   -0.8509   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    0.1705    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    0.7648   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2312    0.5544    1.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2499    0.8834    2.8971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0159   -0.2853   -1.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -1.7987    0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -0.4789    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7529    1.5328   -0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0928    0.5263   -1.4800 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