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
   -1.3594   -0.7415   -0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247    0.0710   -0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0216    1.2845    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107   -0.5113   -1.0679 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395   -0.2802   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290   -0.5001   -0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1190   -1.8273   -0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247   -0.5956    0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822   -0.5270   -1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8995    1.8448   -0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8471    1.7827    0.5402 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