Monomers
Crotononitrile
Identifiers
IUPAC name
(E)-but-2-enenitrile
InchI
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InchI Key
NKKMVIVFRUYPLQ-NSCUHMNNSA-N
SMILES
C/C=C/C#N
Canonical SMILES
CC=CC#N
Isomeric SMILES
C/C=C/C#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5N
Heavy Atom Count
5
Molecular Weight
67.091
Exact Molecular Weight
67.0422
Valence Electrons
26
Radical Electrons
0
tPSA
23.79
MolLogP
1.0861
H Bond Acceptors
1
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
10 9 0 0 0 0 0 0 0 0999 V2000
-1.4012 -0.1833 0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2319 -0.2173 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9229 0.3135 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 0.2913 -1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9827 0.2710 -1.8297 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0403 -0.4400 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1508 -0.9553 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8459 0.8220 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3040 -0.6829 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0140 0.7811 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 3 0
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
3 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers