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
   -0.9724   -0.5861   -0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0595    0.3672   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2791    1.6058    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4045   -0.0235    0.1488 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -1.1269   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4957   -2.0635   -0.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784   -0.0718   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4656   -1.4696   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6116   -0.8332    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4781    2.3038    0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071    1.8978    0.0366 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