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
-1.3863 0.4812 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2342 -0.1042 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9277 -0.1492 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0753 -0.7166 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 -1.1724 0.9613 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1149 0.7983 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2008 -0.2669 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7900 1.3906 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2864 -0.5065 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0132 0.2456 -1.2227 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