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
    1.3018   -0.1643    1.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -0.0653   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.0384   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -0.8924   -0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407    1.1158    0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151    1.9912    0.9389 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538    0.6704    1.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    0.8563   -0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4407   -0.9760   -0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1246   -0.8563   -0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5432   -1.7179   -1.3376 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