7-oxonon-8-enylazanium

C9H18NO+ — CID 58177745

IUPAC7-oxonon-8-enylazanium
SMILESC=CC(=O)CCCCCC[NH3+]
InChIInChI=1S/C9H17NO/c1-2-9(11)7-5-3-4-6-8-10/h2H,1,3-8,10H2/p+1
InChIKeyNUAZUQKABADYPU-UHFFFAOYSA-O
MW156.25 g/mol
LogP0.93
Rot. Bonds7

About 7-oxonon-8-enylazanium

7-oxonon-8-enylazanium (PubChem CID 58177745) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 7-oxonon-8-enylazanium.

Molecular Properties

Compound Name7-oxonon-8-enylazanium
PubChem CID58177745
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name7-oxonon-8-enylazanium
SMILESC=CC(=O)CCCCCC[NH3+]
InChIInChI=1S/C9H17NO/c1-2-9(11)7-5-3-4-6-8-10/h2H,1,3-8,10H2/p+1
InChIKeyNUAZUQKABADYPU-UHFFFAOYSA-O
XLogP0.93
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-oxonon-8-enylazanium?
The IUPAC name of 7-oxonon-8-enylazanium (CID 58177745) is 7-oxonon-8-enylazanium.
What is the SMILES notation for 7-oxonon-8-enylazanium?
The canonical SMILES for 7-oxonon-8-enylazanium is C=CC(=O)CCCCCC[NH3+].
What is the InChIKey of 7-oxonon-8-enylazanium?
The InChIKey is NUAZUQKABADYPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO/c1-2-9(11)7-5-3-4-6-8-10/h2H,1,3-8,10H2/p+1.
What are the key properties of 7-oxonon-8-enylazanium?
7-oxonon-8-enylazanium has a molecular weight of 156.25 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxonon-8-enylazanium is sourced from PubChem (CID 58177745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).