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
    1.4069    1.3088   -0.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4599    0.6706    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007   -0.2481   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024   -1.5188    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280    0.1984   -1.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096    0.5432   -2.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592    1.5651    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9554    0.1482    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.4123    1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2078   -1.8714    0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0151   -2.2084   -0.4269 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