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
1.6762 -0.1429 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 0.3457 -1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7293 0.2934 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3388 -0.8629 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 1.4718 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6770 2.4460 0.7931 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4075 0.0506 -1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0540 0.3446 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5979 -1.2286 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2606 -0.9916 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9037 -1.7261 -0.7080 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