Monomers
Cyanomethyl 2-methylprop-2-enoate
Identifiers
IUPAC name
cyanomethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-5(2)6(8)9-4-3-7/h1,4H2,2H3
InchI Key
KXTNMKREYTVOMX-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC#N
Canonical SMILES
CC(=C)C(=O)OCC#N
Isomeric SMILES
CC(=C)C(=O)OCC#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
50.09
MolLogP
0.6293
H Bond Acceptors
3
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
16 15 0 0 0 0 0 0 0 0999 V2000
-1.5134 0.1162 -1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0753 0.2604 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7708 0.7379 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3928 -0.1190 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6169 0.0310 0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4463 -0.6331 1.1259 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1649 -0.9554 2.3612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 0.2840 2.8849 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2270 1.2470 3.2996 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0891 0.9950 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -0.0175 -2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9354 -0.7566 -0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8070 0.8474 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4650 1.0320 -3.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 -1.6378 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5298 -1.4314 3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 3 0
1 10 1 0
1 11 1 0
1 12 1 0
3 13 1 0
3 14 1 0
7 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers