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
    0.5231   -1.0218    1.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1977    0.2129    1.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853    0.0750   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206    0.6488   -1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4532   -0.7118   -0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040   -1.3424   -0.8466 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163   -1.1727    1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    0.6356    1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0486    0.8980    1.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    0.5404   -2.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1915    1.2379   -1.1924 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