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
   -1.3280   -0.9509    1.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9298    0.2016    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.0510   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679    0.0939   -1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5233   -0.1396    0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459   -0.2662    1.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975   -0.7194    1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6757    0.5095   -0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9179    1.0024    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -0.0347   -1.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0525    0.2523   -2.3001 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