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
-1.1376 0.1452 -1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9404 0.2868 0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 0.1148 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8337 -1.0994 0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9613 1.2732 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5104 2.2181 1.6868 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8383 -0.8951 -1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2370 0.2471 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5589 0.8859 -1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2959 -1.9279 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8074 -1.2487 1.1592 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