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
-1.7119 -0.2696 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5834 -0.2386 -0.7414 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 0.1186 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5787 -0.7809 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 1.5316 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2615 2.6572 -0.1284 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 0.7683 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6180 -1.0073 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -0.4779 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5577 -0.4826 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3104 -1.8188 -0.0646 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