octa-3,5,7-trienenitrile;hydrochloride

C8H10ClN — CID 175319222

IUPACocta-3,5,7-trienenitrile;hydrochloride
SMILESC=CC=CC=CCC#N.Cl
InChIInChI=1S/C8H9N.ClH/c1-2-3-4-5-6-7-8-9;/h2-6H,1,7H2;1H
InChIKeyVJLYAZMVMZRZLK-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.62
Rot. Bonds3

About octa-3,5,7-trienenitrile;hydrochloride

octa-3,5,7-trienenitrile;hydrochloride (PubChem CID 175319222) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is octa-3,5,7-trienenitrile;hydrochloride.

Molecular Properties

Compound Nameocta-3,5,7-trienenitrile;hydrochloride
PubChem CID175319222
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Nameocta-3,5,7-trienenitrile;hydrochloride
SMILESC=CC=CC=CCC#N.Cl
InChIInChI=1S/C8H9N.ClH/c1-2-3-4-5-6-7-8-9;/h2-6H,1,7H2;1H
InChIKeyVJLYAZMVMZRZLK-UHFFFAOYSA-N
XLogP2.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-oxopent-3-enenitrile
CID 57304287
(3E,5E,7E)-trideca-3,5,7-trienenitrile
CID 101282404
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
deca-1,3,5,7-tetraene
CID 54238998
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
CID 102100192
(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
CID 101175233
(E)-5-iminopent-3-enenitrile
CID 123602892
(3E,5E,8E)-dodeca-3,5,8-trienenitrile
CID 101282343
octa-5,7-dienenitrile
CID 71403851

Frequently Asked Questions

What is the IUPAC name of octa-3,5,7-trienenitrile;hydrochloride?
The IUPAC name of octa-3,5,7-trienenitrile;hydrochloride (CID 175319222) is octa-3,5,7-trienenitrile;hydrochloride.
What is the SMILES notation for octa-3,5,7-trienenitrile;hydrochloride?
The canonical SMILES for octa-3,5,7-trienenitrile;hydrochloride is C=CC=CC=CCC#N.Cl.
What is the InChIKey of octa-3,5,7-trienenitrile;hydrochloride?
The InChIKey is VJLYAZMVMZRZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.ClH/c1-2-3-4-5-6-7-8-9;/h2-6H,1,7H2;1H.
What are the key properties of octa-3,5,7-trienenitrile;hydrochloride?
octa-3,5,7-trienenitrile;hydrochloride has a molecular weight of 155.63 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-3,5,7-trienenitrile;hydrochloride is sourced from PubChem (CID 175319222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).