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
   -1.0046   -1.5400   -0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.1685   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699    0.3802   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004   -0.4376   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5944    1.7977   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    2.9595   -0.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8570   -1.9083    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5136    0.2319    0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4868    0.2489   -0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -1.5132    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168   -0.0505    0.0200 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