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
    1.4844    0.5770    1.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -0.4577    0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -0.0127   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5429   -0.1458   -0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482    0.7545   -1.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6047    1.3117   -2.4441 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119    1.4057    0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5058   -1.0714    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831   -1.1033    1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4924   -0.2406   -0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723   -1.0173    0.7222 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