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
-0.5685 0.7482 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 -0.4809 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2677 -0.9090 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5312 -0.1902 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5455 0.3658 -0.8649 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1553 1.5559 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1598 0.5993 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5023 1.1322 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6610 -1.0114 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1112 -1.8098 -1.3389 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