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
    0.6489    0.8812    1.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600    0.3528    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820   -0.1725   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -1.4386   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5164    0.6703   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289    1.3729   -0.7088 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816    1.5033    1.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    1.1676   -0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261   -0.4436    0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3666   -1.8325   -1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -2.0608   -0.4411 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