Monomers
Acrylonitrile
Identifiers
IUPAC name
prop-2-enenitrile
InchI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InchI Key
NLHHRLWOUZZQLW-UHFFFAOYSA-N
SMILES
C=CC#N
Canonical SMILES
C=CC#N
Isomeric SMILES
C=CC#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H3N
Heavy Atom Count
4
Molecular Weight
53.064
Exact Molecular Weight
53.0265
Valence Electrons
20
Radical Electrons
0
tPSA
23.79
MolLogP
0.696
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
7 6 0 0 0 0 0 0 0 0999 V2000
-0.7808 0.6663 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1691 -0.4891 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2587 -0.5212 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4364 -0.5442 0.0263 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 1.5652 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8569 0.7537 -0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 -1.4306 0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 3 0
1 5 1 0
1 6 1 0
2 7 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers