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
   -1.8293    0.5992   -0.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480    0.1482    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299    0.0337    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515   -1.1300    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0418    1.2258   -0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    2.1905   -0.8900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5600    0.1586   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -0.8533    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0122    0.8344    1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -1.9906    0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0567   -1.2166   -0.3405 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