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
   -1.0531   -0.9180   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1323    0.1462    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699    1.3829   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714   -0.1412    1.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370   -0.2206    0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1805   -0.5725    0.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408   -0.7428    0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427   -1.9090   -0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -0.7854   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2166    1.6094   -0.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3014    2.1511    0.2293 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