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
    1.0950   -0.0970    1.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861   -0.4369    0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220    0.1165   -0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267   -0.6908   -1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    1.5198   -0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019    2.6687   -0.8738 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9902    0.6704    2.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0847   -1.5407    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840   -0.1526    1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506   -0.2778   -2.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869   -1.7795   -1.2616 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