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
1.6357 0.3884 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -0.7099 -0.1423 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6102 -0.4970 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1245 0.7076 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4709 -1.6390 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1584 -2.5848 -0.2723 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4479 0.8048 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6914 0.0341 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5051 1.1071 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1966 0.8250 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4808 1.5636 0.1076 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