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
    0.6992    0.8126   -1.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518    0.5008   -0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342   -0.1104    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377   -1.2669    0.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976    0.7801    1.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187    1.4708    1.8578 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7284    0.2290   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615   -0.2541   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401    1.3427   -0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332   -2.2164    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -1.2881    1.9307 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