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
    1.4290    0.9195    0.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995    0.0112    1.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040   -0.3113   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    0.2624   -1.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -1.2300   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751   -1.9852   -0.2672 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1424    1.8015    0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730    0.4246    1.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7629   -0.9195    1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3880    0.0653   -2.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9153    0.9615   -1.3579 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