[(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide

C11H23IN+ — CID 126958977

IUPAC[(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide
SMILESC[N+](C)(C)C1CC/C=C\CCC1.I
InChIInChI=1S/C11H22N.HI/c1-12(2,3)11-9-7-5-4-6-8-10-11;/h4-5,11H,6-10H2,1-3H3;1H/q+1;/b5-4-;
InChIKeyMTIBMWLHKGTGCL-MKWAYWHRSA-N
MW296.22 g/mol
LogP3.20
Rot. Bonds1

About [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide

[(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide (PubChem CID 126958977) has the molecular formula C11H23IN+ and a molecular weight of 296.22 g/mol. Its IUPAC name is [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide.

Molecular Properties

Compound Name[(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide
PubChem CID126958977
Molecular FormulaC11H23IN+
Molecular Weight296.22 g/mol
Exact Mass296.09
IUPAC Name[(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide
SMILESC[N+](C)(C)C1CC/C=C\CCC1.I
InChIInChI=1S/C11H22N.HI/c1-12(2,3)11-9-7-5-4-6-8-10-11;/h4-5,11H,6-10H2,1-3H3;1H/q+1;/b5-4-;
InChIKeyMTIBMWLHKGTGCL-MKWAYWHRSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide?
The IUPAC name of [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide (CID 126958977) is [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide.
What is the SMILES notation for [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide?
The canonical SMILES for [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide is C[N+](C)(C)C1CC/C=C\CCC1.I.
What is the InChIKey of [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide?
The InChIKey is MTIBMWLHKGTGCL-MKWAYWHRSA-N. The full InChI is InChI=1S/C11H22N.HI/c1-12(2,3)11-9-7-5-4-6-8-10-11;/h4-5,11H,6-10H2,1-3H3;1H/q+1;/b5-4-;.
What are the key properties of [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide?
[(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide has a molecular weight of 296.22 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-cyclooct-4-en-1-yl]-trimethylazanium;hydroiodide is sourced from PubChem (CID 126958977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).