Monomers

2-Isocyanatoprop-1-ene

Identifiers

IUPAC name
2-isocyanatoprop-1-ene
InchI
InChI=1S/C4H5NO/c1-4(2)5-3-6/h1H2,2H3
InchI Key
UKQJZQQPMIFNHE-UHFFFAOYSA-N
SMILES
CC(=C)N=C=O
Canonical SMILES
CC(=C)N=C=O
Isomeric SMILES
CC(=C)N=C=O
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
29.43
MolLogP
0.8558
H Bond Acceptors
2
H Bond Donors
0
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
   -1.1677   -0.6741    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748    0.2383   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1228    1.5345    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848   -0.2535   -0.8868 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0592   -0.6669   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   -1.4957    0.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578   -0.3374   -0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847   -1.6721   -0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -0.8275    1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    2.2114   -0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896    1.9431    0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers