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
-0.4659 0.5097 1.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 0.0162 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6845 -0.2681 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6785 -0.7488 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6584 -1.1196 -3.0821 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4589 0.3967 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1228 1.5642 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3100 -0.1105 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4060 -0.1084 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5841 -0.1314 -0.0541 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