Monomers
2-Methoxyprop-2-enenitrile
Identifiers
IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
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
33.02
MolLogP
0.6701
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
0.7474 0.0118 -1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 -0.8313 -0.5427 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3422 -0.1887 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3999 -0.8459 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8304 1.1669 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2296 2.2551 0.4779 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0193 0.7027 -1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6399 0.5604 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0997 -0.6061 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8191 -0.3579 2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 -1.8670 1.7921 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
1 8 1 0
1 9 1 0
4 10 1 0
4 11 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers