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
-0.9818 0.4864 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4264 -0.7773 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7868 -0.7392 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5727 0.4510 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2080 1.4286 0.5368 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4788 0.7551 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7586 1.3084 0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0687 0.3824 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -1.6508 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1801 -1.6446 0.9635 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